CAS 86658-78-8 | (2-INDOL-3-YLETHYL)((4-METHYLPHENYL)SULFONYL)AMINE | CAS Number 86658-78-8

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86658-78-8 | (2-INDOL-3-YLETHYL)((4-METHYLPHENYL)SULFONYL)AMINE

CAS No: 86658-78-8 Catalog No: AG00GYCC MDL No:MFCD00033471

Product Description

Catalog Number:

AG00GYCC

Chemical Name:

(2-INDOL-3-YLETHYL)((4-METHYLPHENYL)SULFONYL)AMINE

CAS Number:

86658-78-8

Molecular Formula:

C17H18N2O2S

Molecular Weight:

314.4020

MDL Number:

MFCD00033471

IUPAC Name:

N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide

InChI:

InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-11-10-14-12-18-17-5-3-2-4-16(14)17/h2-9,12,18-19H,10-11H2,1H3

InChI Key:

VPIUVBLEDIDJQZ-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2c1cccc2

Properties

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.403g/mol

Monoisotopic Mass:

314.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase.	Bioorganic & medicinal chemistry letters 20050301