1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide

C15H20ClFN2O3S — CID 131948144

IUPAC1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCCN1CC(CN(C)S(=O)(=O)Cc2cc(F)ccc2Cl)CC1=O
InChIInChI=1S/C15H20ClFN2O3S/c1-3-19-9-11(6-15(19)20)8-18(2)23(21,22)10-12-7-13(17)4-5-14(12)16/h4-5,7,11H,3,6,8-10H2,1-2H3
InChIKeyOBJHEFZHCMCOPM-UHFFFAOYSA-N
MW362.85 g/mol
LogP2.11
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide

1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 131948144) has the molecular formula C15H20ClFN2O3S and a molecular weight of 362.85 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
PubChem CID131948144
Molecular FormulaC15H20ClFN2O3S
Molecular Weight362.85 g/mol
Exact Mass362.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCCN1CC(CN(C)S(=O)(=O)Cc2cc(F)ccc2Cl)CC1=O
InChIInChI=1S/C15H20ClFN2O3S/c1-3-19-9-11(6-15(19)20)8-18(2)23(21,22)10-12-7-13(17)4-5-14(12)16/h4-5,7,11H,3,6,8-10H2,1-2H3
InChIKeyOBJHEFZHCMCOPM-UHFFFAOYSA-N
XLogP2.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide (CID 131948144) is 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide is CCN1CC(CN(C)S(=O)(=O)Cc2cc(F)ccc2Cl)CC1=O.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is OBJHEFZHCMCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3S/c1-3-19-9-11(6-15(19)20)8-18(2)23(21,22)10-12-7-13(17)4-5-14(12)16/h4-5,7,11H,3,6,8-10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 362.85 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 131948144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).