5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

C13H17FN2O3S — CID 131952010

IUPAC5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1CC(=O)N(C)C1
InChIInChI=1S/C13H17FN2O3S/c1-9-3-4-11(14)6-12(9)20(18,19)15-7-10-5-13(17)16(2)8-10/h3-4,6,10,15H,5,7-8H2,1-2H3
InChIKeyIDFOVRVMLZDUQE-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.89
Rot. Bonds4

About 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 131952010) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID131952010
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1CC(=O)N(C)C1
InChIInChI=1S/C13H17FN2O3S/c1-9-3-4-11(14)6-12(9)20(18,19)15-7-10-5-13(17)16(2)8-10/h3-4,6,10,15H,5,7-8H2,1-2H3
InChIKeyIDFOVRVMLZDUQE-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110737152
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 40912201
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40912290
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
2,4-difluoro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919615
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 16919883
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16919655

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (CID 131952010) is 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC1CC(=O)N(C)C1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is IDFOVRVMLZDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9-3-4-11(14)6-12(9)20(18,19)15-7-10-5-13(17)16(2)8-10/h3-4,6,10,15H,5,7-8H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 300.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 131952010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).