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

C8H14ClN3O2S — CID 79267207

IUPACN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)8(3-9)12-15(13,14)7-4-10-11-5-7/h4-6,8,12H,3H2,1-2H3,(H,10,11)
InChIKeySWYRJZQDVOGPFH-UHFFFAOYSA-N
MW251.74 g/mol
LogP0.95
Rot. Bonds5

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

N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 79267207) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID79267207
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)8(3-9)12-15(13,14)7-4-10-11-5-7/h4-6,8,12H,3H2,1-2H3,(H,10,11)
InChIKeySWYRJZQDVOGPFH-UHFFFAOYSA-N
XLogP0.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115899543
N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
CID 106898738
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61275215

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 79267207) is N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CC(C)C(CCl)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SWYRJZQDVOGPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-6(2)8(3-9)12-15(13,14)7-4-10-11-5-7/h4-6,8,12H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79267207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).