N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide

C12H9ClFN3O3S — CID 64951270

IUPACN-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccncc2F)cc1Cl
InChIInChI=1S/C12H9ClFN3O3S/c13-9-5-7(1-2-11(9)21(15,19)20)17-12(18)8-3-4-16-6-10(8)14/h1-6H,(H,17,18)(H2,15,19,20)
InChIKeyONKRXTWGYVPFFU-UHFFFAOYSA-N
MW329.74 g/mol
LogP1.77
Rot. Bonds3

About N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide

N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64951270) has the molecular formula C12H9ClFN3O3S and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64951270
Molecular FormulaC12H9ClFN3O3S
Molecular Weight329.74 g/mol
Exact Mass329.00
IUPAC NameN-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccncc2F)cc1Cl
InChIInChI=1S/C12H9ClFN3O3S/c13-9-5-7(1-2-11(9)21(15,19)20)17-12(18)8-3-4-16-6-10(8)14/h1-6H,(H,17,18)(H2,15,19,20)
InChIKeyONKRXTWGYVPFFU-UHFFFAOYSA-N
XLogP1.77
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide (CID 64951270) is N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccncc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is ONKRXTWGYVPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3S/c13-9-5-7(1-2-11(9)21(15,19)20)17-12(18)8-3-4-16-6-10(8)14/h1-6H,(H,17,18)(H2,15,19,20).
What are the key properties of N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide?
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64951270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).