2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide

C13H12FN3O3S — CID 61293813

IUPAC2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccnc(F)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H12FN3O3S/c1-8-10(3-2-4-11(8)21(15,19)20)17-13(18)9-5-6-16-12(14)7-9/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyFJOYNNSPRVQIBB-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide

2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide (PubChem CID 61293813) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
PubChem CID61293813
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccnc(F)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H12FN3O3S/c1-8-10(3-2-4-11(8)21(15,19)20)17-13(18)9-5-6-16-12(14)7-9/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyFJOYNNSPRVQIBB-UHFFFAOYSA-N
XLogP1.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
N-(2-methyl-3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130286
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129334
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
CID 106753258

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide (CID 61293813) is 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide is Cc1c(NC(=O)c2ccnc(F)c2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide?
The InChIKey is FJOYNNSPRVQIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-10(3-2-4-11(8)21(15,19)20)17-13(18)9-5-6-16-12(14)7-9/h2-7H,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide?
2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 61293813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).