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Chemical ID: 4367322

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)Cl)c3cccc(c3C)Cl

Chemical ID:

4367322

Name [?]:

2-[(3-chloro-2-methyl-phenyl)-(p-tolylsulfonyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)Cl)c3cccc(c3C)Cl

InChi [?]:

InChI=1/C23H22Cl2N2O3S/c1-16-6-12-20(13-7-16)31(29,30)27(22-5-3-4-21(25)17(22)2)15-23(28)26-14-18-8-10-19(24)11-9-18/h3-13H,14-15H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,30,26,27,25,3,7,18,22,19,21,4,6,16,12,2,29,17,20,5,28,24,13,23,31,15,11,14,9,10,8/E:(6,7)(8,9)(10,11)(12,13)(29,30)/CRV:31.6/rA:31cCCCCCCCSOONCCONCCCCCCCClCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s11;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂Cl₂N₂O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2575
Area:	681.003
Solvation:	-3.76754
Coulombic:	-31.5654

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	477.404
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.07
LogP (Chemaxon):	5.52

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

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Chemical Mix	Source	External ID	Descriptor	Value