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Chemical ID: 4030306

Chemical ID:

4030306

Name [?]:

3,4-dimethoxy-N-(1-phenylpropyl)benzenesulfonamide

SMILES [?]:

CCC(c1ccccc1)NS(=O)(=O)c2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C17H21NO4S/c1-4-15(13-8-6-5-7-9-13)18-23(19,20)14-10-11-16(21-2)17(12-14)22-3/h5-12,15,18H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,21,2,7,6,8,5,9,15,16,19,4,14,3,17,18,10,12,13,22,20,11/E:(6,7)(8,9)(19,20)/CRV:23.6/rA:23cCCCCCCCCCNSOOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₄S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	7.47028
Area:	520.46
Solvation:	-5.54122
Coulombic:	-27.1979

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	335.419
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.03
LogP (Chemaxon):	3.08

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