N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide

C9H17N3O2S — CID 64596630

IUPACN-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-7(2)8(3)4-12-15(13,14)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11)
InChIKeyARZCYWCPFRKQEA-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.98
Rot. Bonds5

About N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide

N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 64596630) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID64596630
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-7(2)8(3)4-12-15(13,14)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11)
InChIKeyARZCYWCPFRKQEA-UHFFFAOYSA-N
XLogP0.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide (CID 64596630) is N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide is CC(C)C(C)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ARZCYWCPFRKQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)8(3)4-12-15(13,14)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11).
What are the key properties of N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide?
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 64596630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).