N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

C18H14FNO3S — CID 167569419

IUPACN-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C18H14FNO3S/c19-17-8-4-3-7-16(17)18(21)12-20-24(22,23)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2
InChIKeyIQEGCGUYNMWYSV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 167569419) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID167569419
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC NameN-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C18H14FNO3S/c19-17-8-4-3-7-16(17)18(21)12-20-24(22,23)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2
InChIKeyIQEGCGUYNMWYSV-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (CID 167569419) is N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is IQEGCGUYNMWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-17-8-4-3-7-16(17)18(21)12-20-24(22,23)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2.
What are the key properties of N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 343.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 167569419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).