N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide

C15H13N3O3S — CID 71795760

IUPACN-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ncn1
InChIInChI=1S/C15H13N3O3S/c1-21-15-9-14(16-10-17-15)18-22(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18)
InChIKeyIYSPWEVJEWLKOH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.44
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide

N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide (PubChem CID 71795760) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide
PubChem CID71795760
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ncn1
InChIInChI=1S/C15H13N3O3S/c1-21-15-9-14(16-10-17-15)18-22(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18)
InChIKeyIYSPWEVJEWLKOH-UHFFFAOYSA-N
XLogP2.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxypyrimidin-4-yl)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-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide (CID 71795760) is N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide?
The InChIKey is IYSPWEVJEWLKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-21-15-9-14(16-10-17-15)18-22(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide?
N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71795760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).