Chemical ID: 3991698

Cc1ccc(cc1N)S(=O)(=O)Nc2cccc(c2)Cl
Chemical ID:
3991698
Name [?]:
3-amino-N-(3-chlorophenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1N)S(=O)(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-9-5-6-12(8-13(9)15)19(17,18)16-11-4-2-3-10(14)7-11/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,3,4,18,6,2,17,13,5,7,19,8,12,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.53386
Area:459.026
Solvation:-1.9418
Coulombic:-29.6441
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.773
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.75
LogP (Chemaxon):2.81

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Descriptor Annotations

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