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Chemical ID: 5514854
Chemical ID:
5514854
Name [?]:
N-phenyl-2-phenylsulfonyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H13NO3S/c16-14(15-12-7-3-1-4-8-12)11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,10,4,14,8,7,9,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCNCOCSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67356 |
Area: | 455.863 |
Solvation: | -4.72302 |
Coulombic: | -23.2885 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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