N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide

C7H13N3O2S — CID 61004310

IUPACN-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-6(2)13(11,12)10-5-7-3-8-9-4-7/h3-4,6,10H,5H2,1-2H3,(H,8,9)
InChIKeyLYXLIXUPXSPVCZ-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.24
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide

N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide (PubChem CID 61004310) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
PubChem CID61004310
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-6(2)13(11,12)10-5-7-3-8-9-4-7/h3-4,6,10H,5H2,1-2H3,(H,8,9)
InChIKeyLYXLIXUPXSPVCZ-UHFFFAOYSA-N
XLogP0.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.24
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)propane-2-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide (CID 61004310) is N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is LYXLIXUPXSPVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6(2)13(11,12)10-5-7-3-8-9-4-7/h3-4,6,10H,5H2,1-2H3,(H,8,9).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.24, 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)propane-2-sulfonamide is sourced from PubChem (CID 61004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).