N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide

C17H19N3O2S — CID 3607226

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C17H19N3O2S/c1-17(2,3)15-11-16(19-18-15)20-23(21,22)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyQWYUFUMKOAAJRA-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.66
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide (PubChem CID 3607226) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
PubChem CID3607226
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C17H19N3O2S/c1-17(2,3)15-11-16(19-18-15)20-23(21,22)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyQWYUFUMKOAAJRA-UHFFFAOYSA-N
XLogP3.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106598332
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 67573141
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide (CID 3607226) is N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide?
The InChIKey is QWYUFUMKOAAJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-17(2,3)15-11-16(19-18-15)20-23(21,22)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3607226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).