N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H21ClN2O2S — CID 71918194

IUPACN-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-20(18,19)17(11-10-16-8-2-3-9-16)12-13-4-6-14(15)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyYBHGLGYUCFDSQG-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.20
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 71918194) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID71918194
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-20(18,19)17(11-10-16-8-2-3-9-16)12-13-4-6-14(15)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyYBHGLGYUCFDSQG-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 131915599
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100796093
N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 7378847
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638
tert-butyl N-[(4-chlorophenyl)methyl]-N-(6-pyrrolidin-1-ylhexyl)carbamate
CID 10644376

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 71918194) is N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is YBHGLGYUCFDSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-20(18,19)17(11-10-16-8-2-3-9-16)12-13-4-6-14(15)7-5-13/h4-7H,2-3,8-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 71918194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).