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Chemical ID: 4067071
Chemical ID:
4067071
Name [?]:
N-(4,6-dimethyl-2-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cc(nc(c1)NS(=O)(=O)c2ccccc2)C
InChi [?]:
InChI=1/C13H14N2O2S/c1-10-8-11(2)14-13(9-10)15-18(16,17)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,18,15,14,16,13,17,3,7,2,4,12,6,5,8,10,11,9/E:(4,5)(6,7)(16,17)/CRV:18.6/rA:18nCCCCNCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0591 |
Area: | 420.5 |
Solvation: | -2.45339 |
Coulombic: | -17.4778 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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