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

C12H17N3O2S2 — CID 112695658

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-5-6-11(18-8)19(16,17)15-10-7-9(13-14-10)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15)
InChIKeyTYBXJZYEYIJYQB-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.88
Rot. Bonds3

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 112695658) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide
PubChem CID112695658
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-5-6-11(18-8)19(16,17)15-10-7-9(13-14-10)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15)
InChIKeyTYBXJZYEYIJYQB-UHFFFAOYSA-N
XLogP2.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-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 N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide (CID 112695658) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)s1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is TYBXJZYEYIJYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-5-6-11(18-8)19(16,17)15-10-7-9(13-14-10)12(2,3)4/h5-7H,1-4H3,(H2,13,14,15).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.88, 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-methylthiophene-2-sulfonamide is sourced from PubChem (CID 112695658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).