Chemical ID: 4754444

Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N
Chemical ID:
4754444
Name [?]:
4-methyl-N-(3-sulfamoylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N
InChi [?]:
InChI=1/C13H14N2O4S2/c1-10-5-7-12(8-6-10)21(18,19)15-11-3-2-4-13(9-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,7,4,6,17,2,12,5,16,21,11,19,20,9,10,18,8/E:(5,6)(7,8)(16,17)(18,19)/CRV:20.6,21.6/rA:21nCCCCCCCSOONCCCCCCSOON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O4S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.78747
Area:476.415
Solvation:-3.1229
Coulombic:-28.4771
Bond Count [?]
All:22
Single:12
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.393
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.61
LogP (Chemaxon):1.71

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