N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide

C19H16FNO3S — CID 146828295

IUPACN-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCc1cccc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C19H16FNO3S/c1-13-5-4-8-17(19(13)20)18(22)12-21-25(23,24)16-10-9-14-6-2-3-7-15(14)11-16/h2-11,21H,12H2,1H3
InChIKeySDMUXGHYNJIMOG-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 146828295) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID146828295
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC NameN-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCc1cccc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C19H16FNO3S/c1-13-5-4-8-17(19(13)20)18(22)12-21-25(23,24)16-10-9-14-6-2-3-7-15(14)11-16/h2-11,21H,12H2,1H3
InChIKeySDMUXGHYNJIMOG-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide (CID 146828295) is N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide is Cc1cccc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is SDMUXGHYNJIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-13-5-4-8-17(19(13)20)18(22)12-21-25(23,24)16-10-9-14-6-2-3-7-15(14)11-16/h2-11,21H,12H2,1H3.
What are the key properties of N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 146828295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).