2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide

C12H17BrN2O2S — CID 63988907

IUPAC2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2S/c1-8(6-9-2-3-9)15-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyWUURWLRMAVVAMZ-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.50
Rot. Bonds5

About 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide

2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide (PubChem CID 63988907) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
PubChem CID63988907
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2S/c1-8(6-9-2-3-9)15-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyWUURWLRMAVVAMZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 83012991
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
2-bromo-N-(1-cyclopropylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065676
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide (CID 63988907) is 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide is CC(CC1CC1)NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide?
The InChIKey is WUURWLRMAVVAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-8(6-9-2-3-9)15-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7-9,15H,2-3,6,14H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).