N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H19ClN2O4S — CID 846496

IUPACN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(15)9-12(13)17(22(2,19)20)10-14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyMCNNTWJYIUALPS-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.74
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846496) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846496
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(15)9-12(13)17(22(2,19)20)10-14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyMCNNTWJYIUALPS-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846496) is N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is COc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is MCNNTWJYIUALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(15)9-12(13)17(22(2,19)20)10-14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).