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Chemical ID: 4210710
Chemical ID:
4210710
Name [?]:
N-(2,5-dimethylphenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)C)C
InChi [?]:
InChI=1/C15H18N2O4S2/c1-11-4-5-12(2)15(10-11)17-23(20,21)14-8-6-13(7-9-14)16-22(3,18)19/h4-10,16-17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,4,14,16,13,17,7,2,5,15,12,6,18,8,20,21,10,11,19,9/E:(6,7)(8,9)(18,19)(20,21)/CRV:22.6,23.6/rA:23nCCCCCCCNSOOCCCCCCNSOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O4S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30716 |
Area: | 520.874 |
Solvation: | -3.71469 |
Coulombic: | -21.517 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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