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Chemical ID: 7284211

Chemical ID:

7284211

Name [?]:

4-chloro-N-(2,5-difluorophenyl)-benzenesulfonamide

SMILES [?]:

c1cc(ccc1S(=O)(=O)Nc2cc(ccc2F)F)Cl

InChi [?]:

InChI=1/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H

InChi Info:

AuxInfo=1/0/N:2,4,14,1,5,15,12,3,13,6,16,11,19,18,17,10,8,9,7/E:(1,2)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₈ClF₂NO₂S
All Atoms:	27
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.57158
Area:	436.814
Solvation:	-3.34877
Coulombic:	-19.985

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	303.713
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.66
LogP (Chemaxon):	3.41

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