N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide

C13H14FN3O2S — CID 62144375

IUPACN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc(F)cc2C)ccn1
InChIInChI=1S/C13H14FN3O2S/c1-9-7-10(14)3-4-12(9)17-20(18,19)11-5-6-16-13(8-11)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyDJHLCLLYSPQABP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.37
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide

N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62144375) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62144375
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc(F)cc2C)ccn1
InChIInChI=1S/C13H14FN3O2S/c1-9-7-10(14)3-4-12(9)17-20(18,19)11-5-6-16-13(8-11)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyDJHLCLLYSPQABP-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143380
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide (CID 62144375) is N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2ccc(F)cc2C)ccn1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is DJHLCLLYSPQABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-7-10(14)3-4-12(9)17-20(18,19)11-5-6-16-13(8-11)15-2/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide?
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62144375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).