1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C13H17ClN2O3S — CID 71977386

IUPAC1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15-20(18,19)9-12-6-3-7-16(12)13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12,15H,3,6-7,9H2,1H3
InChIKeyOXYWATLDNJCNSS-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.49
Rot. Bonds4

About 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71977386) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71977386
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15-20(18,19)9-12-6-3-7-16(12)13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12,15H,3,6-7,9H2,1H3
InChIKeyOXYWATLDNJCNSS-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 71977386) is 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is OXYWATLDNJCNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15-20(18,19)9-12-6-3-7-16(12)13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12,15H,3,6-7,9H2,1H3.
What are the key properties of 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71977386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).