N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide

C13H12FN3O3S — CID 51975647

IUPACN-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H12FN3O3S/c1-8-2-3-9(7-16-8)13(18)17-11-4-10(14)5-12(6-11)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLXZZJFQRDHBCEU-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.43
Rot. Bonds3

About N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide

N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 51975647) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID51975647
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H12FN3O3S/c1-8-2-3-9(7-16-8)13(18)17-11-4-10(14)5-12(6-11)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLXZZJFQRDHBCEU-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-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
6-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154384
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
CID 47068482
6-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 146247386
N-(3-hydroxyphenyl)-6-methylpyridine-3-carboxamide
CID 28739709

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide (CID 51975647) is N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cn1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is LXZZJFQRDHBCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-2-3-9(7-16-8)13(18)17-11-4-10(14)5-12(6-11)21(15,19)20/h2-7H,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide?
N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-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-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 51975647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).