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Chemical ID: 7361389

Cc1cccc(c1C)NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl

Chemical ID:

7361389

Name [?]:

4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(2,3-dimethylphenyl)-benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl

InChi [?]:

InChI=1/C22H20Cl2N2O3S/c1-14-5-4-6-20(15(14)2)25-22(27)16-7-12-19(24)21(13-16)30(28,29)26(3)18-10-8-17(23)9-11-18/h4-13H,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,8,22,4,3,5,13,25,27,24,28,14,17,2,7,12,26,23,15,6,16,10,29,30,9,21,11,19,20,18/E:(8,9)(10,11)(28,29)/CRV:30.6/rA:30cCCCCCCCCNCOCCCCCCSOONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s21;s23;d24;s25;d26;d23s27;s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀Cl₂N₂O₃S
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7405
Area:	650.18
Solvation:	-3.51397
Coulombic:	-29.998

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.377
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.16
LogP (Chemaxon):	5.23

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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