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Chemical ID: 6836589

Chemical ID:

6836589

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1)[N-]S(=O)(=O)c2cccc(c2)Cl

InChi [?]:

InChI=1/C14H13ClNO3S/c1-2-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-4-11(15)10-14/h3-10H,2H2,1H3/q-1

InChi Info:

AuxInfo=1/0/N:1,2,16,17,15,6,8,5,9,19,18,7,4,14,20,10,12,13,3,11/E:(6,7)(8,9)(17,18)/CRV:16-1,20.6/rA:20nCCOCCCCCCN-SOOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃ClNO₃S-
All Atoms:	33
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.9351
Area:	497.528
Solvation:	-34.3733
Coulombic:	16.2947

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	310.777
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.52
LogP (Chemaxon):	3.22

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value