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

C6H11N3O2S — CID 60865307

IUPACN-(1H-pyrazol-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-5(2)12(10,11)9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyDBCWUPVZGDQZCU-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.56
Rot. Bonds3

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

N-(1H-pyrazol-4-yl)propane-2-sulfonamide (PubChem CID 60865307) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)propane-2-sulfonamide
PubChem CID60865307
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(1H-pyrazol-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-5(2)12(10,11)9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyDBCWUPVZGDQZCU-UHFFFAOYSA-N
XLogP0.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.56
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-yl)propane-2-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-yl)propane-2-sulfonamide (CID 60865307) is N-(1H-pyrazol-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)propane-2-sulfonamide?
The InChIKey is DBCWUPVZGDQZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-5(2)12(10,11)9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8).
What are the key properties of N-(1H-pyrazol-4-yl)propane-2-sulfonamide?
N-(1H-pyrazol-4-yl)propane-2-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 60865307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).