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Chemical ID: 6733103

Chemical ID:

6733103

Name [?]:

4-ethoxy-N-(4-methoxyphenyl)-benzenesulfonamide

SMILES [?]:

CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC

InChi [?]:

InChI=1/C15H17NO4S/c1-3-20-14-8-10-15(11-9-14)21(17,18)16-12-4-6-13(19-2)7-5-12/h4-11,16H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,15,19,16,18,5,9,6,8,14,17,4,7,13,11,12,20,3,10/E:(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:21.6/rA:21nCCOCCCCCCSOONCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₄S
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.85617
Area:	490.815
Solvation:	-4.4142
Coulombic:	-26.6109

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.366
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.97
LogP (Chemaxon):	2.45

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