N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide

C20H17FN2O3S — CID 165054999

IUPACN-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2cccnc2)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H17FN2O3S/c1-14-10-16(15-6-5-9-22-12-15)11-18(20(14)21)19(24)13-23-27(25,26)17-7-3-2-4-8-17/h2-12,23H,13H2,1H3
InChIKeyDLXINDNRMMPYOO-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide

N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 165054999) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID165054999
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2cccnc2)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C20H17FN2O3S/c1-14-10-16(15-6-5-9-22-12-15)11-18(20(14)21)19(24)13-23-27(25,26)17-7-3-2-4-8-17/h2-12,23H,13H2,1H3
InChIKeyDLXINDNRMMPYOO-UHFFFAOYSA-N
XLogP3.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide (CID 165054999) is N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide is Cc1cc(-c2cccnc2)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is DLXINDNRMMPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-14-10-16(15-6-5-9-22-12-15)11-18(20(14)21)19(24)13-23-27(25,26)17-7-3-2-4-8-17/h2-12,23H,13H2,1H3.
What are the key properties of N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide?
N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 384.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 165054999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).