ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7264278

CN(C)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)c2ccccc2)c3ccccc3

Chemical ID:

7264278

Name [?]:

2-chloro-N-(2-dimethylamino-2-phenyl-ethyl)-5-(methyl-phenyl-sulfamoyl)-benzamide

SMILES [?]:

CN(C)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C24H26ClN3O3S/c1-27(2)23(18-10-6-4-7-11-18)17-26-24(29)21-16-20(14-15-22(21)25)32(30,31)28(3)19-12-8-5-9-13-19/h4-16,23H,17H2,1-3H3,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,3,20,30,24,29,31,23,25,28,32,22,26,12,13,10,5,27,21,11,9,14,4,7,15,6,2,19,8,17,18,16/E:(1,2)(6,7)(8,9)(10,11)(12,13)(30,31)/CRV:32.6/rA:32cCNCCCNCOCCCCCCClSOONCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s11;d16;d16;s16;s19;s19;s21;d22;s23;d24;d21s25;s4;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆ClN₃O₃S
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	12.2713
Area:	641.016
Solvation:	-3.75412
Coulombic:	-36.3231

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.0
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.97
LogP (Chemaxon):	4.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value