6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide

C13H12FN3O3S — CID 63978563

IUPAC6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C13H12FN3O3S/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(6-9)21(15,19)20/h1-6,8H,7H2,(H,17,18)(H2,15,19,20)
InChIKeyLLPSWPNXRZFOTA-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.80
Rot. Bonds4

About 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide

6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 63978563) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID63978563
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C13H12FN3O3S/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(6-9)21(15,19)20/h1-6,8H,7H2,(H,17,18)(H2,15,19,20)
InChIKeyLLPSWPNXRZFOTA-UHFFFAOYSA-N
XLogP0.80
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.80
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-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 32566324
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
3,5-dimethyl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 61260778
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide (CID 63978563) is 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)c2ccc(F)nc2)c1.
What is the InChIKey of 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LLPSWPNXRZFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(6-9)21(15,19)20/h1-6,8H,7H2,(H,17,18)(H2,15,19,20).
What are the key properties of 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63978563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).