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Chemical ID: 4310220
Chemical ID:
4310220
Name [?]:
2-methyl-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2ccccc2C
InChi [?]:
InChI=1/C14H15NO2S/c1-11-7-9-13(10-8-11)15-18(16,17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,3,7,4,6,2,17,5,12,8,10,11,9/E:(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91952 |
Area: | 423.609 |
Solvation: | -1.6707 |
Coulombic: | -14.3556 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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