Chemical ID: 3991664

Cc1ccc(cc1S(=O)(=O)Nc2cccc(c2)Cl)N
Chemical ID:
3991664
Name [?]:
5-amino-N-(3-chlorophenyl)-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2cccc(c2)Cl)N
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-9-5-6-11(15)8-13(9)19(17,18)16-12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,3,4,17,6,2,16,5,12,7,18,19,11,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCClN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.49199
Area:455.019
Solvation:-1.8835
Coulombic:-29.8613
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

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue