4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H10FN3O4S — CID 103777928

IUPAC4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(4-9(15)11(16)17)20(18,19)14-7-2-3-10(12)13-5-7/h2-6,14H,1H3,(H,16,17)
InChIKeyWSYKHACAHRWSOZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds4

About 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 103777928) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID103777928
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(4-9(15)11(16)17)20(18,19)14-7-2-3-10(12)13-5-7/h2-6,14H,1H3,(H,16,17)
InChIKeyWSYKHACAHRWSOZ-UHFFFAOYSA-N
XLogP1.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 39992768
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
4-[(4-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 83165045
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 63666659
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 79735958
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 103777928) is 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(=O)O.
What is the InChIKey of 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is WSYKHACAHRWSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-15-6-8(4-9(15)11(16)17)20(18,19)14-7-2-3-10(12)13-5-7/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 103777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).