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

C14H14FN3O3S — CID 146074874

IUPAC5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14FN3O3S/c1-9-6-11(15)8-17-13(9)14(19)18-7-10-2-4-12(5-3-10)22(16,20)21/h2-6,8H,7H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyDIYMYPPGGLLJAC-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.11
Rot. Bonds4

About 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide

5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 146074874) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
PubChem CID146074874
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14FN3O3S/c1-9-6-11(15)8-17-13(9)14(19)18-7-10-2-4-12(5-3-10)22(16,20)21/h2-6,8H,7H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyDIYMYPPGGLLJAC-UHFFFAOYSA-N
XLogP1.11
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 146074922
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridine-2-carboxamide
CID 146074902
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (CID 146074874) is 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is Cc1cc(F)cnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DIYMYPPGGLLJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-9-6-11(15)8-17-13(9)14(19)18-7-10-2-4-12(5-3-10)22(16,20)21/h2-6,8H,7H2,1H3,(H,18,19)(H2,16,20,21).
What are the key properties of 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146074874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).