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Chemical ID: 4198198

Chemical ID:

4198198

Name [?]:

N,N-diethyl-3,4-dimethoxy-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(c(c1)OC)OC

InChi [?]:

InChI=1/C12H19NO4S/c1-5-13(6-2)18(14,15)10-7-8-11(16-3)12(9-10)17-4/h7-9H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,18,16,2,4,10,11,14,9,12,13,3,7,8,17,15,6/E:(1,2)(5,6)(14,15)/CRV:18.6/rA:18nCCNCCSOOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₉NO₄S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.04512
Area:	442.122
Solvation:	-5.00793
Coulombic:	-20.6114

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	273.35
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.52
LogP (Chemaxon):	1.35

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