N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide

C23H20N2O2S — CID 1327896

IUPACN-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O2S/c26-28(27,23-14-12-19-7-1-2-8-20(19)17-23)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-10,12,14-17,25H,11,13H2
InChIKeyKBBGOLVRPMQFLX-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.82
Rot. Bonds6

About N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide

N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 1327896) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide
PubChem CID1327896
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O2S/c26-28(27,23-14-12-19-7-1-2-8-20(19)17-23)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-10,12,14-17,25H,11,13H2
InChIKeyKBBGOLVRPMQFLX-UHFFFAOYSA-N
XLogP4.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-pyridin-2-ylethyl)phenyl]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-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide (CID 1327896) is N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is KBBGOLVRPMQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-28(27,23-14-12-19-7-1-2-8-20(19)17-23)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-10,12,14-17,25H,11,13H2.
What are the key properties of N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide?
N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-2-ylethyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1327896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).