1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide

C14H17ClN2O3S — CID 110719803

IUPAC1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESO=C1CC(NS(=O)(=O)Cc2ccc(Cl)cc2)CN1C1CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)9-21(19,20)16-12-7-14(18)17(8-12)13-5-6-13/h1-4,12-13,16H,5-9H2
InChIKeyVKCJQFYRSGSSIQ-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.52
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide

1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 110719803) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID110719803
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESO=C1CC(NS(=O)(=O)Cc2ccc(Cl)cc2)CN1C1CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)9-21(19,20)16-12-7-14(18)17(8-12)13-5-6-13/h1-4,12-13,16H,5-9H2
InChIKeyVKCJQFYRSGSSIQ-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 139008656
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 131900553
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 95985260
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
CID 118165381
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357473

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide (CID 110719803) is 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide is O=C1CC(NS(=O)(=O)Cc2ccc(Cl)cc2)CN1C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is VKCJQFYRSGSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-3-1-10(2-4-11)9-21(19,20)16-12-7-14(18)17(8-12)13-5-6-13/h1-4,12-13,16H,5-9H2.
What are the key properties of 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 110719803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).