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Chemical ID: 4803666

Chemical ID:

4803666

Name [?]:

N-cyclopentyl-4-methoxy-N-(2-thienylmethyl)benzenesulfonamide

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)N(Cc2cccs2)C3CCCC3

InChi [?]:

InChI=1/C17H21NO3S2/c1-21-15-8-10-17(11-9-15)23(19,20)18(14-5-2-3-6-14)13-16-7-4-12-22-16/h4,7-12,14H,2-3,5-6,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,22,16,20,23,15,4,8,5,7,17,13,19,3,14,6,12,10,11,2,18,9/E:(2,3)(5,6)(8,9)(10,11)(19,20)/CRV:23.6/rA:23cCOCCCCCCSOONCCCCCSCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;s14s17;s12;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₃S₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.23841
Area:	498.23
Solvation:	-3.21733
Coulombic:	-16.7619

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	351.486
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.06
LogP (Chemaxon):	3.3

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value