N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide

C18H21NO4S3 — CID 55617034

IUPACN-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C18H21NO4S3/c1-25(20,21)17-12-6-7-13-18(17)26(22,23)19-15-10-4-5-11-16(15)24-14-8-2-3-9-14/h4-7,10-14,19H,2-3,8-9H2,1H3
InChIKeyCOZVOEIPWQTXTQ-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.93
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide

N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 55617034) has the molecular formula C18H21NO4S3 and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID55617034
Molecular FormulaC18H21NO4S3
Molecular Weight411.57 g/mol
Exact Mass411.06
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C18H21NO4S3/c1-25(20,21)17-12-6-7-13-18(17)26(22,23)19-15-10-4-5-11-16(15)24-14-8-2-3-9-14/h4-7,10-14,19H,2-3,8-9H2,1H3
InChIKeyCOZVOEIPWQTXTQ-UHFFFAOYSA-N
XLogP3.93
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 55617061
2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
CID 61454901
N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 127639508
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
2-amino-3-cyclopentylsulfanylbenzenesulfonamide
CID 112675204
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide (CID 55617034) is N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is COZVOEIPWQTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S3/c1-25(20,21)17-12-6-7-13-18(17)26(22,23)19-15-10-4-5-11-16(15)24-14-8-2-3-9-14/h4-7,10-14,19H,2-3,8-9H2,1H3.
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide?
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55617034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).