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Chemical ID: 4754444
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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