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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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Chemical Mix	Source	External ID	Descriptor	Value