N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide

C13H12FN3O3S — CID 106753258

IUPACN-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)ccn1
InChIInChI=1S/C13H12FN3O3S/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-12(11(14)7-10)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyGDTUOCNBTIQRQJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.43
Rot. Bonds3

About N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide

N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106753258) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106753258
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC NameN-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)ccn1
InChIInChI=1S/C13H12FN3O3S/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-12(11(14)7-10)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyGDTUOCNBTIQRQJ-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

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Related Compounds

N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520210
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
CID 61293813
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide (CID 106753258) is N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)ccn1.
What is the InChIKey of N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is GDTUOCNBTIQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-12(11(14)7-10)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide?
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-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 N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).