3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

C10H11FN2O5S2 — CID 119259509

IUPAC3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(F)(C(=O)O)C2)cs1
InChIInChI=1S/C10H11FN2O5S2/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(19-4-6)20(12,17)18/h3-4H,1-2,5H2,(H,15,16)(H2,12,17,18)
InChIKeyDOYGJWHKZVWSAF-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.03
Rot. Bonds3

About 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259509) has the molecular formula C10H11FN2O5S2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119259509
Molecular FormulaC10H11FN2O5S2
Molecular Weight322.34 g/mol
Exact Mass322.01
IUPAC Name3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(F)(C(=O)O)C2)cs1
InChIInChI=1S/C10H11FN2O5S2/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(19-4-6)20(12,17)18/h3-4H,1-2,5H2,(H,15,16)(H2,12,17,18)
InChIKeyDOYGJWHKZVWSAF-UHFFFAOYSA-N
XLogP0.03
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethyl-5-sulfamoylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259421
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
1-(3,4-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259545
3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
1-(3-bromo-5-fluorobenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258893
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259135
3-fluoro-1-(4-fluoro-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119257992
3-fluoro-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119259285
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268
2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
CID 154762720
3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258518

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119259509) is 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is NS(=O)(=O)c1cc(C(=O)N2CCC(F)(C(=O)O)C2)cs1.
What is the InChIKey of 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DOYGJWHKZVWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5S2/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(19-4-6)20(12,17)18/h3-4H,1-2,5H2,(H,15,16)(H2,12,17,18).
What are the key properties of 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).