N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H23N3O2S — CID 86883306

IUPACN-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-13(2)12-20-17(9-10-18-20)19-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,19H,3-6,12H2,1-2H3
InChIKeyYYKKYLBIXHJSRP-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 86883306) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID86883306
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-13(2)12-20-17(9-10-18-20)19-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,19H,3-6,12H2,1-2H3
InChIKeyYYKKYLBIXHJSRP-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 86883306) is N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(C)Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YYKKYLBIXHJSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(2)12-20-17(9-10-18-20)19-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,19H,3-6,12H2,1-2H3.
What are the key properties of N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 86883306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).