N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide

C16H15N3O3S — CID 122302123

IUPACN-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C16H15N3O3S/c1-2-22-16-17-10-13(11-18-16)19-23(20,21)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,19H,2H2,1H3
InChIKeyZSXHULSNTYVNIB-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.83
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide

N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide (PubChem CID 122302123) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
PubChem CID122302123
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C16H15N3O3S/c1-2-22-16-17-10-13(11-18-16)19-23(20,21)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,19H,2H2,1H3
InChIKeyZSXHULSNTYVNIB-UHFFFAOYSA-N
XLogP2.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide
CID 54437426
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 67573141
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide (CID 122302123) is N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide is CCOc1ncc(NS(=O)(=O)c2cccc3ccccc23)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide?
The InChIKey is ZSXHULSNTYVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-22-16-17-10-13(11-18-16)19-23(20,21)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,19H,2H2,1H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide?
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 122302123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).