N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide

C22H19N3O3S — CID 122262719

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3cccc4ccccc34)ncn2)cc1
InChIInChI=1S/C22H19N3O3S/c1-28-19-11-9-17(10-12-19)21-13-18(23-15-24-21)14-25-29(26,27)22-8-4-6-16-5-2-3-7-20(16)22/h2-13,15,25H,14H2,1H3
InChIKeyOUXFFVPDIPFZSB-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.78
Rot. Bonds6

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 122262719) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
PubChem CID122262719
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3cccc4ccccc34)ncn2)cc1
InChIInChI=1S/C22H19N3O3S/c1-28-19-11-9-17(10-12-19)21-13-18(23-15-24-21)14-25-29(26,27)22-8-4-6-16-5-2-3-7-20(16)22/h2-13,15,25H,14H2,1H3
InChIKeyOUXFFVPDIPFZSB-UHFFFAOYSA-N
XLogP3.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]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

2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 122262639
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122262689
2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262156
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
4-ethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 122262717
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 122263168
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide (CID 122262719) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide is COc1ccc(-c2cc(CNS(=O)(=O)c3cccc4ccccc34)ncn2)cc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is OUXFFVPDIPFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-28-19-11-9-17(10-12-19)21-13-18(23-15-24-21)14-25-29(26,27)22-8-4-6-16-5-2-3-7-20(16)22/h2-13,15,25H,14H2,1H3.
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122262719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).