N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide

C16H22N4O3S — CID 167788723

IUPACN-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1ccc(C(N)CNS(=O)(=O)c2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C16H22N4O3S/c1-12-2-4-13(5-3-12)16(17)9-19-24(21,22)15-8-18-20(10-15)14-6-7-23-11-14/h2-5,8,10,14,16,19H,6-7,9,11,17H2,1H3
InChIKeyWLWXYVSLESTOJY-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.13
Rot. Bonds6

About N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide

N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 167788723) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID167788723
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1ccc(C(N)CNS(=O)(=O)c2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C16H22N4O3S/c1-12-2-4-13(5-3-12)16(17)9-19-24(21,22)15-8-18-20(10-15)14-6-7-23-11-14/h2-5,8,10,14,16,19H,6-7,9,11,17H2,1H3
InChIKeyWLWXYVSLESTOJY-UHFFFAOYSA-N
XLogP1.13
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 167788723) is N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide is Cc1ccc(C(N)CNS(=O)(=O)c2cnn(C3CCOC3)c2)cc1.
What is the InChIKey of N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is WLWXYVSLESTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-2-4-13(5-3-12)16(17)9-19-24(21,22)15-8-18-20(10-15)14-6-7-23-11-14/h2-5,8,10,14,16,19H,6-7,9,11,17H2,1H3.
What are the key properties of N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).