N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C8H14ClN3O2S — CID 102693971

IUPACN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)7(5-9)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11)
InChIKeySVOZACLFPBCCGJ-UHFFFAOYSA-N
MW251.74 g/mol
LogP0.95
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693971) 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-5-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693971
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)7(5-9)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11)
InChIKeySVOZACLFPBCCGJ-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-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640
(2S)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690747

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693971) is N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CC(C)C(CCl)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is SVOZACLFPBCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-6(2)7(5-9)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-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-5-sulfonamide is sourced from PubChem (CID 102693971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).