5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C10H11ClN4O4S2 — CID 104620745

IUPAC5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1
InChIInChI=1S/C10H11ClN4O4S2/c1-5(2)6-3-8(13-12-6)14-21(18,19)9-4-7(15(16)17)10(11)20-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyXQXSQZXBNAIYTD-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.96
Rot. Bonds5

About 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 104620745) has the molecular formula C10H11ClN4O4S2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID104620745
Molecular FormulaC10H11ClN4O4S2
Molecular Weight350.81 g/mol
Exact Mass349.99
IUPAC Name5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1
InChIInChI=1S/C10H11ClN4O4S2/c1-5(2)6-3-8(13-12-6)14-21(18,19)9-4-7(15(16)17)10(11)20-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyXQXSQZXBNAIYTD-UHFFFAOYSA-N
XLogP2.96
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.96
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'}

Analyze 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 104620745) is 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1.
What is the InChIKey of 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is XQXSQZXBNAIYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4S2/c1-5(2)6-3-8(13-12-6)14-21(18,19)9-4-7(15(16)17)10(11)20-9/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 350.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104620745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).