N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

C14H16FN3O2S — CID 103305406

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-16-13-8-5-9-17-14(13)21(19,20)18(2)10-11-6-3-4-7-12(11)15/h3-9,16H,10H2,1-2H3
InChIKeyVLJROEUPPDHTAN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.08
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305406) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305406
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-16-13-8-5-9-17-14(13)21(19,20)18(2)10-11-6-3-4-7-12(11)15/h3-9,16H,10H2,1-2H3
InChIKeyVLJROEUPPDHTAN-UHFFFAOYSA-N
XLogP2.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
3-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103301059
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305490
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306392
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-methyl-3-(methylamino)-N-pyridin-4-ylpyridine-2-sulfonamide
CID 106936960

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (CID 103305406) is N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is VLJROEUPPDHTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-16-13-8-5-9-17-14(13)21(19,20)18(2)10-11-6-3-4-7-12(11)15/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).