N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide

C19H21N3O2S — CID 2818973

IUPACN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-11-9-14(10-12-15)17-13-18(21-20-17)22-25(23,24)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,20,21,22)
InChIKeyZQAJZUFFEIASAM-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.18
Rot. Bonds4

About N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide

N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 2818973) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID2818973
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-11-9-14(10-12-15)17-13-18(21-20-17)22-25(23,24)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,20,21,22)
InChIKeyZQAJZUFFEIASAM-UHFFFAOYSA-N
XLogP4.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 2818973) is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZQAJZUFFEIASAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-19(2,3)15-11-9-14(10-12-15)17-13-18(21-20-17)22-25(23,24)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,20,21,22).
What are the key properties of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide?
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 2818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).