N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

C13H19ClN2O2S — CID 75370041

IUPACN-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)15-8-10-16-9-2-3-13(16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyKNIFYZAGYYLMTL-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 75370041) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID75370041
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)15-8-10-16-9-2-3-13(16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyKNIFYZAGYYLMTL-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Chlorobenzyl)-N'-(3-pyrrolidin-1-yl-propyl)-sulfamide
CID 10520543
1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
beta-(2-Chlorophenyl)-1-pyrrolidineethanamine
CID 3158582
2-(4-Chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16394884
N~2~-(4-chlorobenzyl)-N~1~-cyclopentyl-N~2~-(methylsulfonyl)glycinamide
CID 974018
4-chloro-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
CID 49862456
rac-(2R,3S)-1-tert-butyl-2-(4-chloro-3-fluorophenyl)pyrrolidin-3-amine
CID 95359041
N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide
CID 47077875
1-[1-(3-Chlorophenyl)ethyl]-4-methylsulfonylpiperazine
CID 47358354
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]methanesulfonamide
CID 53589944
2-[(3-Chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 56672253
2-[(4-Chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 56672254

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 75370041) is N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is KNIFYZAGYYLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-19(17,18)15-8-10-16-9-2-3-13(16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3.
What are the key properties of N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 75370041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).