4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide

C8H14ClN3O2S — CID 116816196

IUPAC4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCCCl)n[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-7-6-8(11-10-7)12-15(13,14)5-3-2-4-9/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyPOHVBEJCJQHWPG-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.48
Rot. Bonds6

About 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide

4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (PubChem CID 116816196) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
PubChem CID116816196
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCCCl)n[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-7-6-8(11-10-7)12-15(13,14)5-3-2-4-9/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyPOHVBEJCJQHWPG-UHFFFAOYSA-N
XLogP1.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 83059100
N-(5-Methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 18339362
hydroxylamine;methanesulfonyl chloride;5-methyl-1H-pyrazol-3-amine
CID 90745357
1-Ethylsulfonyl-5-methylpyrazol-3-amine
CID 131126128
N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide
CID 134606433
N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 63820794
N-(5-methyl-1H-pyrazol-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 63821161
N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 63821534
1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821548
N-(5-methyl-1H-pyrazol-3-yl)cyclohexanesulfonamide
CID 63821714
3-chloro-N-(5-methyl-1H-pyrazol-3-yl)propane-1-sulfonamide
CID 63821732
N-(5-methyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 63821893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (CID 116816196) is 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is Cc1cc(NS(=O)(=O)CCCCCl)n[nH]1.
What is the InChIKey of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The InChIKey is POHVBEJCJQHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7-6-8(11-10-7)12-15(13,14)5-3-2-4-9/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 116816196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).