3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid

C15H11FN2O4S2 — CID 166153311

IUPAC3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(NS(=O)(=O)c2c[nH]c(-c3ccccc3)c2)cc1F
InChIInChI=1S/C15H11FN2O4S2/c16-11-7-13(23-14(11)15(19)20)18-24(21,22)10-6-12(17-8-10)9-4-2-1-3-5-9/h1-8,17-18H,(H,19,20)
InChIKeySXABFHKITZXOIN-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.38
Rot. Bonds5

About 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid

3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 166153311) has the molecular formula C15H11FN2O4S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID166153311
Molecular FormulaC15H11FN2O4S2
Molecular Weight366.40 g/mol
Exact Mass366.01
IUPAC Name3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(NS(=O)(=O)c2c[nH]c(-c3ccccc3)c2)cc1F
InChIInChI=1S/C15H11FN2O4S2/c16-11-7-13(23-14(11)15(19)20)18-24(21,22)10-6-12(17-8-10)9-4-2-1-3-5-9/h1-8,17-18H,(H,19,20)
InChIKeySXABFHKITZXOIN-UHFFFAOYSA-N
XLogP3.38
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid (CID 166153311) is 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1sc(NS(=O)(=O)c2c[nH]c(-c3ccccc3)c2)cc1F.
What is the InChIKey of 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is SXABFHKITZXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S2/c16-11-7-13(23-14(11)15(19)20)18-24(21,22)10-6-12(17-8-10)9-4-2-1-3-5-9/h1-8,17-18H,(H,19,20).
What are the key properties of 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid?
3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(5-phenyl-1H-pyrrol-3-yl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 166153311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).