5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid

C17H13FN2O4S — CID 135385857

IUPAC5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(NS(=O)(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O4S/c18-12-8-6-11(7-9-12)14-10-15(19-16(14)17(21)22)20-25(23,24)13-4-2-1-3-5-13/h1-10,19-20H,(H,21,22)
InChIKeyJPNCHLILBASSHI-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.32
Rot. Bonds5

About 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid

5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 135385857) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID135385857
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(NS(=O)(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O4S/c18-12-8-6-11(7-9-12)14-10-15(19-16(14)17(21)22)20-25(23,24)13-4-2-1-3-5-13/h1-10,19-20H,(H,21,22)
InChIKeyJPNCHLILBASSHI-UHFFFAOYSA-N
XLogP3.32
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide
CID 91642236
methyl 3-(4-fluorophenyl)-5-(phenylsulfanylamino)-1H-pyrrole-2-carboxylate
CID 142478492
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
CID 666090
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid (CID 135385857) is 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]c(NS(=O)(=O)c2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is JPNCHLILBASSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c18-12-8-6-11(7-9-12)14-10-15(19-16(14)17(21)22)20-25(23,24)13-4-2-1-3-5-13/h1-10,19-20H,(H,21,22).
What are the key properties of 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid?
5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 135385857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).