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Chemical ID: 6777109

Cc1ccc(cc1)CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)Br

Chemical ID:

6777109

Name [?]:

2-(4-bromophenyl)sulfonylamino-3-phenyl-N-(p-tolylmethyl)propanamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)Br

InChi [?]:

InChI=1/C23H23BrN2O3S/c1-17-7-9-19(10-8-17)16-25-23(27)22(15-18-5-3-2-4-6-18)26-30(28,29)21-13-11-20(24)12-14-21/h2-14,22,26H,15-16H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,26,28,25,29,13,8,2,14,5,27,24,12,10,30,9,20,11,22,23,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(28,29)/CRV:30.6/rA:30cCCCCCCCCNCOCCCCCCCCNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃BrN₂O₃S
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7661
Area:	632.91
Solvation:	-4.05669
Coulombic:	-36.0479

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	487.41
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.96
LogP (Chemaxon):	5.11

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