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Chemical ID: 6672020
Chemical ID:
6672020
Name [?]:
N-(4-chloro-2-methyl-phenyl)benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1NS(=O)(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S/c1-10-9-11(14)7-8-13(10)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,5,6,3,2,4,12,7,18,8,10,11,9/E:(3,4)(5,6)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32021 |
Area: | 439.391 |
Solvation: | -1.66457 |
Coulombic: | -14.4965 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.759 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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