5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide

C10H11ClN4O4S2 — CID 80736165

IUPAC5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H11ClN4O4S2/c1-5-9(6(2)14(3)12-5)13-21(18,19)8-4-7(15(16)17)10(11)20-8/h4,13H,1-3H3
InChIKeyAIJYVOYGLVGPHY-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.46
Rot. Bonds4

About 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 80736165) has the molecular formula C10H11ClN4O4S2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID80736165
Molecular FormulaC10H11ClN4O4S2
Molecular Weight350.81 g/mol
Exact Mass349.99
IUPAC Name5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H11ClN4O4S2/c1-5-9(6(2)14(3)12-5)13-21(18,19)8-4-7(15(16)17)10(11)20-8/h4,13H,1-3H3
InChIKeyAIJYVOYGLVGPHY-UHFFFAOYSA-N
XLogP2.46
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide (CID 80736165) is 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is AIJYVOYGLVGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4S2/c1-5-9(6(2)14(3)12-5)13-21(18,19)8-4-7(15(16)17)10(11)20-8/h4,13H,1-3H3.
What are the key properties of 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 350.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80736165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).