N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C18H19N3O2S — CID 6624952

IUPACN-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14(2)15-4-6-16(7-5-15)20-24(22,23)18-10-8-17(9-11-18)21-13-3-12-19-21/h3-14,20H,1-2H3
InChIKeySHLCVQZQYIIGBA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 6624952) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID6624952
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14(2)15-4-6-16(7-5-15)20-24(22,23)18-10-8-17(9-11-18)21-13-3-12-19-21/h3-14,20H,1-2H3
InChIKeySHLCVQZQYIIGBA-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 6624952) is N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is SHLCVQZQYIIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14(2)15-4-6-16(7-5-15)20-24(22,23)18-10-8-17(9-11-18)21-13-3-12-19-21/h3-14,20H,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 6624952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).