2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C17H20FN3O3S — CID 60543355

IUPAC2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)nc1
InChIInChI=1S/C17H20FN3O3S/c1-11(2)21(4)25(23,24)13-6-7-15(18)14(9-13)17(22)20-16-8-5-12(3)10-19-16/h5-11H,1-4H3,(H,19,20,22)
InChIKeyKYBPKRGILMCBML-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.81
Rot. Bonds5

About 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 60543355) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID60543355
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)nc1
InChIInChI=1S/C17H20FN3O3S/c1-11(2)21(4)25(23,24)13-6-7-15(18)14(9-13)17(22)20-16-8-5-12(3)10-19-16/h5-11H,1-4H3,(H,19,20,22)
InChIKeyKYBPKRGILMCBML-UHFFFAOYSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 52696059
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 75469577
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
CID 142112043
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 60543355) is 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)nc1.
What is the InChIKey of 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is KYBPKRGILMCBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-11(2)21(4)25(23,24)13-6-7-15(18)14(9-13)17(22)20-16-8-5-12(3)10-19-16/h5-11H,1-4H3,(H,19,20,22).
What are the key properties of 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 60543355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).