N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide

C19H23NO4S2 — CID 55617061

IUPACN-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC2CCCC2)c1
InChIInChI=1S/C19H23NO4S2/c1-23-14-11-12-17(24-2)19(13-14)26(21,22)20-16-9-5-6-10-18(16)25-15-7-3-4-8-15/h5-6,9-13,15,20H,3-4,7-8H2,1-2H3
InChIKeyKBGKVUMPTGZYEW-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.54
Rot. Bonds7

About N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide

N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 55617061) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID55617061
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC2CCCC2)c1
InChIInChI=1S/C19H23NO4S2/c1-23-14-11-12-17(24-2)19(13-14)26(21,22)20-16-9-5-6-10-18(16)25-15-7-3-4-8-15/h5-6,9-13,15,20H,3-4,7-8H2,1-2H3
InChIKeyKBGKVUMPTGZYEW-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55617034
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 1241942
2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 55617061) is N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KBGKVUMPTGZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-23-14-11-12-17(24-2)19(13-14)26(21,22)20-16-9-5-6-10-18(16)25-15-7-3-4-8-15/h5-6,9-13,15,20H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 55617061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).