4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide

C15H21N3O2S — CID 115750953

IUPAC4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-10(2)13-6-8-14(9-7-13)21(19,20)18-15-11(3)12(4)16-17-15/h6-10H,5H2,1-4H3,(H2,16,17,18)
InChIKeyWMTQMTSGKJICPT-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.34
Rot. Bonds5

About 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide

4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 115750953) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID115750953
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-10(2)13-6-8-14(9-7-13)21(19,20)18-15-11(3)12(4)16-17-15/h6-10H,5H2,1-4H3,(H2,16,17,18)
InChIKeyWMTQMTSGKJICPT-UHFFFAOYSA-N
XLogP3.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide 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 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 115750953) is 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1.
What is the InChIKey of 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is WMTQMTSGKJICPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-10(2)13-6-8-14(9-7-13)21(19,20)18-15-11(3)12(4)16-17-15/h6-10H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115750953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).