2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide

C7H12ClN3O2S — CID 107652417

IUPAC2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
SMILESCCc1cc(NS(=O)(=O)CCCl)n[nH]1
InChIInChI=1S/C7H12ClN3O2S/c1-2-6-5-7(10-9-6)11-14(12,13)4-3-8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyBDDCSRTZEQQGGX-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.95
Rot. Bonds5

About 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide

2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide (PubChem CID 107652417) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
PubChem CID107652417
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
SMILESCCc1cc(NS(=O)(=O)CCCl)n[nH]1
InChIInChI=1S/C7H12ClN3O2S/c1-2-6-5-7(10-9-6)11-14(12,13)4-3-8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyBDDCSRTZEQQGGX-UHFFFAOYSA-N
XLogP0.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
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

1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211
1-cyclopropyl-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620660
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 114279782
3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide
CID 104620677
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-sulfonamide
CID 104620641
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115750892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide (CID 107652417) is 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide is CCc1cc(NS(=O)(=O)CCCl)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide?
The InChIKey is BDDCSRTZEQQGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-2-6-5-7(10-9-6)11-14(12,13)4-3-8/h5H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide?
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide has a molecular weight of 237.71 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 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 107652417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).