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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Related Compounds

3-{4-[(2-Chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-YL}-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913101
3-{4-[(2-Chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-YL}-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925774
[(2S,4S)-1-[(2-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110876181
1-[(2-Chloro-6-fluorobenzyl)sulfonyl]piperidine-4-carboxamide
CID 17746641
{1-[(2-Chloro-6-fluorobenzyl)sulfonyl]piperidin-4-yl}(pyrrolidin-1-yl)methanone
CID 17746673
{1-[(2-Chloro-6-fluorobenzyl)sulfonyl]piperidin-4-yl}(4-methylpiperidin-1-yl)methanone
CID 17746675
1-({1-[(2-Chloro-6-fluorobenzyl)sulfonyl]piperidin-4-yl}carbonyl)piperidine-4-carboxamide
CID 17746680
1-[3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
CID 75389886
1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
CID 75389887
1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 97417138
4-(7-(2-Chlorophenyl)-1,1-dioxido-1,4-thiazepane-4-carbonyl)-1-methylpyrrolidin-2-one
CID 119104462
1-[2-[(2-Chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-2-methylsulfonylpropan-1-one
CID 132378147

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).