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

C18H19FN2O3S — CID 47062837

IUPAC5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-13-7-8-15(19)11-17(13)25(23,24)20-16-5-2-4-14(10-16)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3
InChIKeyDZVYIRPRZADPOA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds5

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

5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 47062837) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
PubChem CID47062837
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-13-7-8-15(19)11-17(13)25(23,24)20-16-5-2-4-14(10-16)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3
InChIKeyDZVYIRPRZADPOA-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 155519746
N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17617917
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339
1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]isonipecotamide
CID 17585068
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685
3-Fluoro-4-(2-oxo-4-phenylpyrrolidin-1-yl)benzene-1-sulfonamide
CID 215706
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-benzenesulfonamide
CID 648839
4-fluoro-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]benzenesulfonamide
CID 934461
N-(4-methylphenyl)-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 1008120
N-(4-fluorophenyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136138
N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 3143546
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
CID 3500662

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 47062837) is 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is DZVYIRPRZADPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13-7-8-15(19)11-17(13)25(23,24)20-16-5-2-4-14(10-16)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3.
What are the key properties of 5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 3.06, 5 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-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 47062837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).