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

C12H11BrFN3O3S — CID 61130175

IUPAC4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H11BrFN3O3S/c1-17-6-7(13)4-11(17)12(18)16-10-5-8(21(15,19)20)2-3-9(10)14/h2-6H,1H3,(H,16,18)(H2,15,19,20)
InChIKeyBDEZKQAFODFSKR-UHFFFAOYSA-N
MW376.21 g/mol
LogP1.83
Rot. Bonds3

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

4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 61130175) has the molecular formula C12H11BrFN3O3S and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID61130175
Molecular FormulaC12H11BrFN3O3S
Molecular Weight376.21 g/mol
Exact Mass374.97
IUPAC Name4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H11BrFN3O3S/c1-17-6-7(13)4-11(17)12(18)16-10-5-8(21(15,19)20)2-3-9(10)14/h2-6H,1H3,(H,16,18)(H2,15,19,20)
InChIKeyBDEZKQAFODFSKR-UHFFFAOYSA-N
XLogP1.83
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide (CID 61130175) is 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is BDEZKQAFODFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O3S/c1-17-6-7(13)4-11(17)12(18)16-10-5-8(21(15,19)20)2-3-9(10)14/h2-6H,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoro-5-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61130175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).