2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide

C11H14N2O2S — CID 63999104

IUPAC2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O2S/c1-4-11(2,3)13-16(14,15)10-8-6-5-7-9(10)12/h1,5-8,13H,12H2,2-3H3
InChIKeyLVXDAUUCAOIIHB-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide

2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide (PubChem CID 63999104) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
PubChem CID63999104
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O2S/c1-4-11(2,3)13-16(14,15)10-8-6-5-7-9(10)12/h1,5-8,13H,12H2,2-3H3
InChIKeyLVXDAUUCAOIIHB-UHFFFAOYSA-N
XLogP0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63998092
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
4-iodo-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 25044697
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
2-(2-aminophenyl)-N-tert-butylbenzenesulfonamide
CID 18545780
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 61126492
1-(2-aminophenyl)sulfonyl-3-methylurea
CID 116645969
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide (CID 63999104) is 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide is C#CC(C)(C)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide?
The InChIKey is LVXDAUUCAOIIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-4-11(2,3)13-16(14,15)10-8-6-5-7-9(10)12/h1,5-8,13H,12H2,2-3H3.
What are the key properties of 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide?
2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide is sourced from PubChem (CID 63999104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).