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Chemical ID: 6149636
Chemical ID:
6149636
Name [?]:
4-chloro-N-(4-hydroxyphenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)O
InChi [?]:
InChI=1/C13H12ClNO3S/c1-9-8-12(6-7-13(9)14)19(17,18)15-10-2-4-11(16)5-3-10/h2-8,15-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,18,15,17,5,6,3,2,13,16,4,7,8,12,19,10,11,9/E:(2,3)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCCClSOONCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67226 |
Area: | 455.409 |
Solvation: | -2.71298 |
Coulombic: | -28.9848 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.758 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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