1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide

C6H10ClN3O2S — CID 106216702

IUPAC1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)c1cn[nH]c1
InChIInChI=1S/C6H10ClN3O2S/c1-5(6-2-8-9-3-6)10-13(11,12)4-7/h2-3,5,10H,4H2,1H3,(H,8,9)
InChIKeyPWWWEBPPMGZBJJ-UHFFFAOYSA-N
MW223.69 g/mol
LogP0.59
Rot. Bonds4

About 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide

1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide (PubChem CID 106216702) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.69 g/mol. Its IUPAC name is 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
PubChem CID106216702
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.69 g/mol
Exact Mass223.02
IUPAC Name1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)c1cn[nH]c1
InChIInChI=1S/C6H10ClN3O2S/c1-5(6-2-8-9-3-6)10-13(11,12)4-7/h2-3,5,10H,4H2,1H3,(H,8,9)
InChIKeyPWWWEBPPMGZBJJ-UHFFFAOYSA-N
XLogP0.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 50.59
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

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208337
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
1-(2-nitrophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 104624356
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide (CID 106216702) is 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)CCl)c1cn[nH]c1.
What is the InChIKey of 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is PWWWEBPPMGZBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-5(6-2-8-9-3-6)10-13(11,12)4-7/h2-3,5,10H,4H2,1H3,(H,8,9).
What are the key properties of 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 223.69 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106216702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).