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Chemical ID: 4450269
Chemical ID:
4450269
Name [?]:
3-methyl-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C14H15NO2S/c1-11-6-8-13(9-7-11)15-18(16,17)14-5-3-4-12(2)10-14/h3-10,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,15,13,3,7,4,6,17,2,16,5,12,8,10,11,9/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20018 |
Area: | 435.062 |
Solvation: | -1.67638 |
Coulombic: | -14.1866 |
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: | 3.59 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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