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Chemical ID: 4714112
Chemical ID:
4714112
Name [?]:
N-(3-acetylphenyl)-2-chloro-benzenesulfonamide
SMILES [?]:
CC(=O)c1cccc(c1)NS(=O)(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C14H12ClNO3S/c1-10(17)11-5-4-6-12(9-11)16-20(18,19)14-8-3-2-7-13(14)15/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,6,5,7,18,15,9,2,4,8,19,14,20,10,3,12,13,11/E:(18,19)/CRV:20.6/rA:20nCCOCCCCCCNSOOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37706 |
Area: | 465.463 |
Solvation: | -3.2595 |
Coulombic: | -20.365 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.769 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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