3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide

C8H14ClN3O2S — CID 104621227

IUPAC3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)CCCCl)c1C
InChIInChI=1S/C8H14ClN3O2S/c1-6-7(2)10-11-8(6)12-15(13,14)5-3-4-9/h3-5H2,1-2H3,(H2,10,11,12)
InChIKeyZMHMZCZMGOOOSZ-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.40
Rot. Bonds5

About 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide

3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide (PubChem CID 104621227) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide
PubChem CID104621227
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)CCCCl)c1C
InChIInChI=1S/C8H14ClN3O2S/c1-6-7(2)10-11-8(6)12-15(13,14)5-3-4-9/h3-5H2,1-2H3,(H2,10,11,12)
InChIKeyZMHMZCZMGOOOSZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
3-chloro-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 107858495
3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389008
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
CID 115750897
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600429

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide (CID 104621227) is 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide is Cc1[nH]nc(NS(=O)(=O)CCCCl)c1C.
What is the InChIKey of 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The InChIKey is ZMHMZCZMGOOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-6-7(2)10-11-8(6)12-15(13,14)5-3-4-9/h3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 104621227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).