ChemDB: Chemical Search
Download
Chemical ID: 6177928
Chemical ID:
6177928
Name [?]:
2-methyl-N-phenyl-benzenesulfonamide
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2ccccc2
InChi [?]:
InChI=1/C13H13NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,4,5,3,13,17,6,2,12,7,11,9,10,8/E:(3,4)(8,9)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35892 |
Area: | 400.21 |
Solvation: | -1.64633 |
Coulombic: | -14.6216 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|