N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide

C13H13F2N3O2S — CID 103587233

IUPACN-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-8-6-10(15)11(7-9(8)14)18-21(19,20)12-4-3-5-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17)
InChIKeyVNLPRYFJMMFDKS-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.51
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide

N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 103587233) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID103587233
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-8-6-10(15)11(7-9(8)14)18-21(19,20)12-4-3-5-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17)
InChIKeyVNLPRYFJMMFDKS-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667
2-amino-N-(2,5-difluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 103584410
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 107630568
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62148877
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 103587233) is N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1cc(F)c(C)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is VNLPRYFJMMFDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-8-6-10(15)11(7-9(8)14)18-21(19,20)12-4-3-5-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103587233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).