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

C19H20ClN3O2S — CID 2818970

IUPACN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(22-21-17)23-26(24,25)16-10-8-15(20)9-11-16/h4-12H,1-3H3,(H2,21,22,23)
InChIKeyWUEPIRDMPKZPGX-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.83
Rot. Bonds4

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

N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide (PubChem CID 2818970) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
PubChem CID2818970
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(22-21-17)23-26(24,25)16-10-8-15(20)9-11-16/h4-12H,1-3H3,(H2,21,22,23)
InChIKeyWUEPIRDMPKZPGX-UHFFFAOYSA-N
XLogP4.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.83
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]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide (CID 2818970) is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide is CC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
The InChIKey is WUEPIRDMPKZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(22-21-17)23-26(24,25)16-10-8-15(20)9-11-16/h4-12H,1-3H3,(H2,21,22,23).
What are the key properties of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.83, 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]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2818970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).