N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

C13H14FN3O2S — CID 62157049

IUPACN-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)c2cccc(F)c2)ccn1
InChIInChI=1S/C13H14FN3O2S/c1-15-13-9-12(6-7-16-13)20(18,19)17(2)11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16)
InChIKeyVDCNONUMSHFGPY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.09
Rot. Bonds4

About N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62157049) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62157049
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)c2cccc(F)c2)ccn1
InChIInChI=1S/C13H14FN3O2S/c1-15-13-9-12(6-7-16-13)20(18,19)17(2)11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16)
InChIKeyVDCNONUMSHFGPY-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158204
N-methyl-2-(methylamino)-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62156970
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
CID 62157688
N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 62982874
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
N-ethyl-2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 62146204
N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 64600904

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (CID 62157049) is N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)N(C)c2cccc(F)c2)ccn1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is VDCNONUMSHFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-15-13-9-12(6-7-16-13)20(18,19)17(2)11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62157049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).