N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide

C11H14ClN3O2S2 — CID 3745386

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C11H14ClN3O2S2/c1-11(2,3)7-6-9(14-13-7)15-19(16,17)10-5-4-8(12)18-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyXGTASYSIHWGWGB-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.22
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide (PubChem CID 3745386) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide
PubChem CID3745386
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C11H14ClN3O2S2/c1-11(2,3)7-6-9(14-13-7)15-19(16,17)10-5-4-8(12)18-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyXGTASYSIHWGWGB-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide (CID 3745386) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is XGTASYSIHWGWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-11(2,3)7-6-9(14-13-7)15-19(16,17)10-5-4-8(12)18-10/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 319.84 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 3745386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).