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Chemical ID: 5372422
Chemical ID:
5372422
Name [?]:
N-[4-(2-phenylsulfonylacetyl)aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C16H16N2O4S/c1-12(19)17-13-7-9-14(10-8-13)18-16(20)11-23(21,22)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,6,10,7,9,14,2,5,8,18,12,4,11,3,13,16,17,15/E:(3,4)(5,6)(7,8)(9,10)(21,22)/CRV:23.6/rA:23nCCONCCCCCCNCOCSOOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20116 |
Area: | 533.952 |
Solvation: | -6.14766 |
Coulombic: | -40.6733 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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