N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C8H15N3O2S — CID 47267376

IUPACN-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-6(2)7(3)11-14(12,13)8-4-9-10-5-8/h4-7,11H,1-3H3,(H,9,10)
InChIKeyNBMDTJUIJIOTJV-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.73
Rot. Bonds4

About N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267376) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47267376
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-6(2)7(3)11-14(12,13)8-4-9-10-5-8/h4-7,11H,1-3H3,(H,9,10)
InChIKeyNBMDTJUIJIOTJV-UHFFFAOYSA-N
XLogP0.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonamide
CID 45080579
1H-pyrazole-4-sulfonohydrazide
CID 60917034
N-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-1H-pyrazole-4-sulfonamide
CID 164630529
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 91046527
azanium 1H-pyrazole-4-sulfonate
CID 139196171
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 47363941
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876542
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916087

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 47267376) is N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CC(C)C(C)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NBMDTJUIJIOTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6(2)7(3)11-14(12,13)8-4-9-10-5-8/h4-7,11H,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).