5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C11H14ClN3O2S2 — CID 103100334

IUPAC5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C11H14ClN3O2S2/c1-3-4-8-6-9(14-13-8)15-19(16,17)10-5-7(2)11(12)18-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyHZLLFJSWFOZOSC-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.19
Rot. Bonds5

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

5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 103100334) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID103100334
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C11H14ClN3O2S2/c1-3-4-8-6-9(14-13-8)15-19(16,17)10-5-7(2)11(12)18-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyHZLLFJSWFOZOSC-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 103100334) is 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CCCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1.
What is the InChIKey of 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is HZLLFJSWFOZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-3-4-8-6-9(14-13-8)15-19(16,17)10-5-7(2)11(12)18-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 319.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 103100334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).