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Chemical ID: 4244993
Chemical ID:
4244993
Name [?]:
N-(2-chlorophenyl)-2-(2-naphthylsulfonyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)S(=O)(=O)CC(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO3S/c19-16-7-3-4-8-17(16)20-18(21)12-24(22,23)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,10,3,22,19,8,7,5,14,9,4,6,23,18,15,24,17,16,12,13,11/E:(22,23)/CRV:24.6/rA:24nCCCCCCCCCCSOOCCONCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;d11;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1404 |
Area: | 548.116 |
Solvation: | -4.5625 |
Coulombic: | -24.6544 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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