2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C13H13FN2O2S — CID 43420461

IUPAC2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-16(10-11-6-8-15-9-7-11)19(17,18)13-5-3-2-4-12(13)14/h2-9H,10H2,1H3
InChIKeyMHAKKMXQEUJDPX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.04
Rot. Bonds4

About 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 43420461) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID43420461
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-16(10-11-6-8-15-9-7-11)19(17,18)13-5-3-2-4-12(13)14/h2-9H,10H2,1H3
InChIKeyMHAKKMXQEUJDPX-UHFFFAOYSA-N
XLogP2.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 43420461) is 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is MHAKKMXQEUJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-16(10-11-6-8-15-9-7-11)19(17,18)13-5-3-2-4-12(13)14/h2-9H,10H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43420461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).