N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide

C14H19N3O2S — CID 3830785

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-13-9-12(15-16-13)14(2,3)4/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyRQOLCCRLHHCSSL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.82
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 3830785) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
PubChem CID3830785
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-13-9-12(15-16-13)14(2,3)4/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyRQOLCCRLHHCSSL-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104619460
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide (CID 3830785) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is RQOLCCRLHHCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-5-7-11(8-6-10)20(18,19)17-13-9-12(15-16-13)14(2,3)4/h5-9H,1-4H3,(H2,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3830785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).