5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C10H12N4O4S2 — CID 75512964

IUPAC5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-6(2)7-5-8(12-11-7)13-20(17,18)10-4-3-9(19-10)14(15)16/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyYQMHDPNHDHSELR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.30
Rot. Bonds5

About 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 75512964) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID75512964
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-6(2)7-5-8(12-11-7)13-20(17,18)10-4-3-9(19-10)14(15)16/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyYQMHDPNHDHSELR-UHFFFAOYSA-N
XLogP2.30
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.30
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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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3799442
5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 63822431
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-4-nitrothiophene-2-sulfonamide
CID 75524045
5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 86796215
N-(5-Ethyl-4-methyl-1H-pyrazol-3-YL)thiophene-2-sulfonamide
CID 86804390
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 104616767
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 104616998
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 104620634
5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 104620691
5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 104620745
5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 106272623
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 112695658

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 75512964) is 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1.
What is the InChIKey of 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is YQMHDPNHDHSELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-6(2)7-5-8(12-11-7)13-20(17,18)10-4-3-9(19-10)14(15)16/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 316.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75512964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).