2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide

C17H16ClFN2O3S — CID 71838586

IUPAC2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16ClFN2O3S/c1-11-3-2-4-14(18)16(11)25(23,24)20-15-9-10-21(17(15)22)13-7-5-12(19)6-8-13/h2-8,15,20H,9-10H2,1H3
InChIKeyKFYJYBJBLMKZHO-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.87
Rot. Bonds4

About 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide

2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide (PubChem CID 71838586) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
PubChem CID71838586
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16ClFN2O3S/c1-11-3-2-4-14(18)16(11)25(23,24)20-15-9-10-21(17(15)22)13-7-5-12(19)6-8-13/h2-8,15,20H,9-10H2,1H3
InChIKeyKFYJYBJBLMKZHO-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
CID 71838507
4-[3-[(2-chloro-6-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159592830
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 53166809
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 71838496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide (CID 71838586) is 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)NC1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The InChIKey is KFYJYBJBLMKZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-11-3-2-4-14(18)16(11)25(23,24)20-15-9-10-21(17(15)22)13-7-5-12(19)6-8-13/h2-8,15,20H,9-10H2,1H3.
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide?
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide has a molecular weight of 382.84 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 71838586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).