N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide

C10H13N3O2S2 — CID 75483445

IUPACN-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2ccsc2)[nH]n1
InChIInChI=1S/C10H13N3O2S2/c1-2-5-17(14,15)13-10-6-9(11-12-10)8-3-4-16-7-8/h3-4,6-7H,2,5H2,1H3,(H2,11,12,13)
InChIKeyBZDPYVAHSQLNEG-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.29
Rot. Bonds5

About N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide

N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide (PubChem CID 75483445) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide
PubChem CID75483445
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2ccsc2)[nH]n1
InChIInChI=1S/C10H13N3O2S2/c1-2-5-17(14,15)13-10-6-9(11-12-10)8-3-4-16-7-8/h3-4,6-7H,2,5H2,1H3,(H2,11,12,13)
InChIKeyBZDPYVAHSQLNEG-UHFFFAOYSA-N
XLogP2.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide (CID 75483445) is N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2ccsc2)[nH]n1.
What is the InChIKey of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The InChIKey is BZDPYVAHSQLNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-2-5-17(14,15)13-10-6-9(11-12-10)8-3-4-16-7-8/h3-4,6-7H,2,5H2,1H3,(H2,11,12,13).
What are the key properties of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide?
N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 75483445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).