2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide

C6H10ClN3O2S — CID 107651745

IUPAC2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccn[nH]1
InChIInChI=1S/C6H10ClN3O2S/c7-2-4-13(11,12)9-5-6-1-3-8-10-6/h1,3,9H,2,4-5H2,(H,8,10)
InChIKeyQZVAWQUVKIDSFA-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.07
Rot. Bonds5

About 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide

2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide (PubChem CID 107651745) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
PubChem CID107651745
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Name2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccn[nH]1
InChIInChI=1S/C6H10ClN3O2S/c7-2-4-13(11,12)9-5-6-1-3-8-10-6/h1,3,9H,2,4-5H2,(H,8,10)
InChIKeyQZVAWQUVKIDSFA-UHFFFAOYSA-N
XLogP0.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.07
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-(2-chloroethyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61286100
N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
CID 115607773
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 107652634
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106383148
N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43662504
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284272
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
2-tert-butylsulfonyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115625744
5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide (CID 107651745) is 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide is O=S(=O)(CCCl)NCc1ccn[nH]1.
What is the InChIKey of 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is QZVAWQUVKIDSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c7-2-4-13(11,12)9-5-6-1-3-8-10-6/h1,3,9H,2,4-5H2,(H,8,10).
What are the key properties of 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide?
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 223.68 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 107651745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).