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

C13H18N4O2S — CID 104616993

IUPAC4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(16-15-11)17-20(18,19)10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyBIIIXEWYGNSZIE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.09
Rot. Bonds3

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

4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616993) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616993
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(16-15-11)17-20(18,19)10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3,(H2,15,16,17)
InChIKeyBIIIXEWYGNSZIE-UHFFFAOYSA-N
XLogP2.09
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
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-(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
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
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)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616993) is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2)n[nH]1.
What is the InChIKey of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is BIIIXEWYGNSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(16-15-11)17-20(18,19)10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).