N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

C16H14N2O2S — CID 84549972

IUPACN-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-21(20,18-12-13-5-4-10-17-11-13)16-9-3-7-14-6-1-2-8-15(14)16/h1-11,18H,12H2
InChIKeyBOSLOFFEZXXWRN-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.71
Rot. Bonds4

About N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 84549972) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
PubChem CID84549972
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-21(20,18-12-13-5-4-10-17-11-13)16-9-3-7-14-6-1-2-8-15(14)16/h1-11,18H,12H2
InChIKeyBOSLOFFEZXXWRN-UHFFFAOYSA-N
XLogP2.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzylnaphthalene-1-sulfonamide
CID 3844256
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (CID 84549972) is N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide is O=S(=O)(NCc1cccnc1)c1cccc2ccccc12.
What is the InChIKey of N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is BOSLOFFEZXXWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-21(20,18-12-13-5-4-10-17-11-13)16-9-3-7-14-6-1-2-8-15(14)16/h1-11,18H,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 84549972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).