Chemical ID: 4421574

Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)Cl
Chemical ID:
4421574
Name [?]:
N-(4-chlorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S/c1-10-3-2-4-13(9-10)18(16,17)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,16,13,17,7,2,15,12,6,18,11,9,10,8/E:(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClNO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.39636
Area:444.875
Solvation:-1.72552
Coulombic:-14.281
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.759
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):3.59

Name Annotations

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Descriptor Annotations

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