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Chemical ID: 6473963
Chemical ID:
6473963
Name [?]:
N-(2-chlorophenyl)-2-(p-tolylsulfonyl)acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C15H14ClNO3S/c1-11-6-8-12(9-7-11)21(19,20)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,3,7,4,6,11,2,5,20,15,12,21,14,13,9,10,8/E:(6,7)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCSOOCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33265 |
Area: | 508.2 |
Solvation: | -4.37235 |
Coulombic: | -23.8711 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.795 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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