2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid

C12H13FN2O5S — CID 104654715

IUPAC2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
SMILESCN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1=O
InChIInChI=1S/C12H13FN2O5S/c1-15-5-4-10(11(15)16)14-21(19,20)7-2-3-9(13)8(6-7)12(17)18/h2-3,6,10,14H,4-5H2,1H3,(H,17,18)
InChIKeyJNSMJMGTPNOAKW-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.03
Rot. Bonds4

About 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid

2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid (PubChem CID 104654715) has the molecular formula C12H13FN2O5S and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
PubChem CID104654715
Molecular FormulaC12H13FN2O5S
Molecular Weight316.31 g/mol
Exact Mass316.05
IUPAC Name2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
SMILESCN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1=O
InChIInChI=1S/C12H13FN2O5S/c1-15-5-4-10(11(15)16)14-21(19,20)7-2-3-9(13)8(6-7)12(17)18/h2-3,6,10,14H,4-5H2,1H3,(H,17,18)
InChIKeyJNSMJMGTPNOAKW-UHFFFAOYSA-N
XLogP0.03
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
3-amino-5-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250336
4-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256335
2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
CID 104655230
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
3-amino-4-fluoro-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250389
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
4-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluorobenzoic acid
CID 58957179
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluorobenzoic acid
CID 79188553
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
CID 22016962
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid (CID 104654715) is 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid is CN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1=O.
What is the InChIKey of 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The InChIKey is JNSMJMGTPNOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5S/c1-15-5-4-10(11(15)16)14-21(19,20)7-2-3-9(13)8(6-7)12(17)18/h2-3,6,10,14H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid has a molecular weight of 316.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 104654715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).