5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 61274811

IUPAC5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-7-5-4-6-11(12)16-20(17,18)13-8-14-15-10(13)3/h4-9,16H,1-3H3,(H,14,15)
InChIKeyPLTWLXFWCWWXND-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds5

About 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61274811) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61274811
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-7-5-4-6-11(12)16-20(17,18)13-8-14-15-10(13)3/h4-9,16H,1-3H3,(H,14,15)
InChIKeyPLTWLXFWCWWXND-UHFFFAOYSA-N
XLogP2.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide (CID 61274811) is 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PLTWLXFWCWWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)19-12-7-5-4-6-11(12)16-20(17,18)13-8-14-15-10(13)3/h4-9,16H,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).