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Chemical ID: 7045741

Chemical ID:

7045741

Name [?]:

6-chloro-N-(4-ethylphenyl)-pyridine-3-sulfonamide

SMILES [?]:

CCc1ccc(cc1)NS(=O)(=O)c2ccc(nc2)Cl

InChi [?]:

InChI=1/C13H13ClN2O2S/c1-2-10-3-5-11(6-4-10)16-19(17,18)12-7-8-13(14)15-9-12/h3-9,16H,2H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,4,8,5,7,14,15,18,3,6,13,16,19,17,9,11,12,10/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCCNSOOCCCCNCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃ClN₂O₂S
All Atoms:	32
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.75215
Area:	470.45
Solvation:	-2.0091
Coulombic:	-18.7792

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	296.773
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.08
LogP (Chemaxon):	3.05

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