4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide

C11H9BrFN3O3S — CID 61130923

IUPAC4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H9BrFN3O3S/c12-6-3-9(15-5-6)11(17)16-8-4-7(13)1-2-10(8)20(14,18)19/h1-5,15H,(H,16,17)(H2,14,18,19)
InChIKeyMQMZORGLVJBKOO-UHFFFAOYSA-N
MW362.18 g/mol
LogP1.82
Rot. Bonds3

About 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 61130923) has the molecular formula C11H9BrFN3O3S and a molecular weight of 362.18 g/mol. Its IUPAC name is 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID61130923
Molecular FormulaC11H9BrFN3O3S
Molecular Weight362.18 g/mol
Exact Mass360.95
IUPAC Name4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H9BrFN3O3S/c12-6-3-9(15-5-6)11(17)16-8-4-7(13)1-2-10(8)20(14,18)19/h1-5,15H,(H,16,17)(H2,14,18,19)
InChIKeyMQMZORGLVJBKOO-UHFFFAOYSA-N
XLogP1.82
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
N-(5-fluoro-2-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215733
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
N-(5-fluoro-2-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511933
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide (CID 61130923) is 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1ccc(F)cc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MQMZORGLVJBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O3S/c12-6-3-9(15-5-6)11(17)16-8-4-7(13)1-2-10(8)20(14,18)19/h1-5,15H,(H,16,17)(H2,14,18,19).
What are the key properties of 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 362.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61130923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).