5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

C10H12N4O4S2 — CID 86796215

IUPAC5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-2-3-7-4-9(12-11-7)13-20(17,18)8-5-10(14(15)16)19-6-8/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyDICIOWAZPVBCEW-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.13
Rot. Bonds6

About 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 86796215) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID86796215
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-2-3-7-4-9(12-11-7)13-20(17,18)8-5-10(14(15)16)19-6-8/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyDICIOWAZPVBCEW-UHFFFAOYSA-N
XLogP2.13
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (CID 86796215) is 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is CCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1.
What is the InChIKey of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is DICIOWAZPVBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-2-3-7-4-9(12-11-7)13-20(17,18)8-5-10(14(15)16)19-6-8/h4-6H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 316.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 86796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).