N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide

C16H14N2O2S — CID 767333

IUPACN-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2S/c19-21(20,18-12-13-4-3-9-17-11-13)16-8-7-14-5-1-2-6-15(14)10-16/h1-11,18H,12H2
InChIKeyGDXZZZYRDKHRPZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.71
Rot. Bonds4

About N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide

N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 767333) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
PubChem CID767333
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2S/c19-21(20,18-12-13-4-3-9-17-11-13)16-8-7-14-5-1-2-6-15(14)10-16/h1-11,18H,12H2
InChIKeyGDXZZZYRDKHRPZ-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

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide (CID 767333) is N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is GDXZZZYRDKHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-21(20,18-12-13-4-3-9-17-11-13)16-8-7-14-5-1-2-6-15(14)10-16/h1-11,18H,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
N-(pyridin-3-ylmethyl)naphthalene-2-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-2-sulfonamide is sourced from PubChem (CID 767333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).