4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C12H10ClFN2O4S — CID 43132318

IUPAC4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1C(=O)O
InChIInChI=1S/C12H10ClFN2O4S/c1-16-6-8(5-11(16)12(17)18)21(19,20)15-10-3-2-7(13)4-9(10)14/h2-6,15H,1H3,(H,17,18)
InChIKeyRTBBNJWVBUULBS-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.32
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 43132318) has the molecular formula C12H10ClFN2O4S and a molecular weight of 332.74 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID43132318
Molecular FormulaC12H10ClFN2O4S
Molecular Weight332.74 g/mol
Exact Mass332.00
IUPAC Name4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1C(=O)O
InChIInChI=1S/C12H10ClFN2O4S/c1-16-6-8(5-11(16)12(17)18)21(19,20)15-10-3-2-7(13)4-9(10)14/h2-6,15H,1H3,(H,17,18)
InChIKeyRTBBNJWVBUULBS-UHFFFAOYSA-N
XLogP2.32
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
4-[(4-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 83165045
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
4-[(2-bromo-5-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 82711529
4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 103777928
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107372024
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 43132318) is 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1C(=O)O.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is RTBBNJWVBUULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O4S/c1-16-6-8(5-11(16)12(17)18)21(19,20)15-10-3-2-7(13)4-9(10)14/h2-6,15H,1H3,(H,17,18).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 332.74 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43132318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).