5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide

C13H17BrN4O2S — CID 104616990

IUPAC5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cc(N)ccc2Br)n[nH]1
InChIInChI=1S/C13H17BrN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-6-8(15)4-5-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18)
InChIKeySWBSCLZIKSEITG-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.85
Rot. Bonds3

About 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide

5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616990) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616990
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC Name5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cc(N)ccc2Br)n[nH]1
InChIInChI=1S/C13H17BrN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-6-8(15)4-5-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18)
InChIKeySWBSCLZIKSEITG-UHFFFAOYSA-N
XLogP2.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.85
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

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
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
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
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616990) is 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2cc(N)ccc2Br)n[nH]1.
What is the InChIKey of 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is SWBSCLZIKSEITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-6-8(15)4-5-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide?
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).