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

C13H17N3O2S — CID 3288654

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)11-9-12(15-14-11)16-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyGXQWKSRTXDDMQZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.51
Rot. Bonds3

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

N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 3288654) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID3288654
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)11-9-12(15-14-11)16-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyGXQWKSRTXDDMQZ-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
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)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106598332
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
CID 110444579

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 3288654) is N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is GXQWKSRTXDDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)11-9-12(15-14-11)16-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.51, 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)benzenesulfonamide is sourced from PubChem (CID 3288654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).