N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

C18H18F2N2O3S — CID 110428842

IUPACN-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCCN1CCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-15-3-1-4-16(20)18(15)21-26(24,25)14-8-6-13(7-9-14)10-12-22-11-2-5-17(22)23/h1,3-4,6-9,21H,2,5,10-12H2
InChIKeyXIVDTXUVFFMVCD-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.93
Rot. Bonds6

About N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 110428842) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID110428842
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCCN1CCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-15-3-1-4-16(20)18(15)21-26(24,25)14-8-6-13(7-9-14)10-12-22-11-2-5-17(22)23/h1,3-4,6-9,21H,2,5,10-12H2
InChIKeyXIVDTXUVFFMVCD-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 110316664
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110421749
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (CID 110428842) is N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is O=C1CCCN1CCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is XIVDTXUVFFMVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-15-3-1-4-16(20)18(15)21-26(24,25)14-8-6-13(7-9-14)10-12-22-11-2-5-17(22)23/h1,3-4,6-9,21H,2,5,10-12H2.
What are the key properties of N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110428842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).