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Chemical ID: 4350029
Chemical ID:
4350029
Name [?]:
2,5-dimethyl-N-phenyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2ccccc2)C
InChi [?]:
InChI=1/C14H15NO2S/c1-11-8-9-12(2)14(10-11)18(16,17)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,17,3,4,7,2,5,12,6,11,9,10,8/E:(4,5)(6,7)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88497 |
Area: | 421.96 |
Solvation: | -1.66404 |
Coulombic: | -14.3887 |
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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