N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide

C6H11N3O2S — CID 61003975

IUPACN-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-2-12(10,11)9-5-6-3-7-8-4-6/h3-4,9H,2,5H2,1H3,(H,7,8)
InChIKeyOCQACFYWLKTYKA-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.15
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide

N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide (PubChem CID 61003975) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
PubChem CID61003975
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-2-12(10,11)9-5-6-3-7-8-4-6/h3-4,9H,2,5H2,1H3,(H,7,8)
InChIKeyOCQACFYWLKTYKA-UHFFFAOYSA-N
XLogP-0.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide (CID 61003975) is N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
The InChIKey is OCQACFYWLKTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-2-12(10,11)9-5-6-3-7-8-4-6/h3-4,9H,2,5H2,1H3,(H,7,8).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide?
N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 61003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).