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Chemical ID: 4421574
Chemical ID:
4421574
Name [?]:
N-(4-chlorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S/c1-10-3-2-4-13(9-10)18(16,17)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,16,13,17,7,2,15,12,6,18,11,9,10,8/E:(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39636 |
Area: | 444.875 |
Solvation: | -1.72552 |
Coulombic: | -14.281 |
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: | 3.77 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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