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Chemical ID: 6836595

Chemical ID:

6836595

Name [?]:

(3-chlorophenyl)sulfonyl-(4-methoxyphenyl)-azanide

SMILES [?]:

COc1ccc(cc1)[N-]S(=O)(=O)c2cccc(c2)Cl

InChi [?]:

InChI=1/C13H11ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9H,1H3/q-1

InChi Info:

AuxInfo=1/0/N:1,15,16,14,5,7,4,8,18,17,6,3,13,19,9,11,12,2,10/E:(5,6)(7,8)(16,17)/CRV:15-1,19.6/rA:19nCOCCCCCCN-SOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₁ClNO₃S-
All Atoms:	30
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.5768
Area:	472.343
Solvation:	-34.3853
Coulombic:	16.519

Bond Count [?]

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

Chemical Properties

Molecular Weight:	296.75
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.09
LogP (Chemaxon):	2.87

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