1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine

C11H12BrN5O2S — CID 106465446

IUPAC1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C11H12BrN5O2S/c1-16-11(10(12)14-15-16)20(18,19)17-5-4-7-2-3-8(13)6-9(7)17/h2-3,6H,4-5,13H2,1H3
InChIKeyBXDFRKBSTYRDII-UHFFFAOYSA-N
MW358.22 g/mol
LogP0.91
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine

1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 106465446) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID106465446
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C11H12BrN5O2S/c1-16-11(10(12)14-15-16)20(18,19)17-5-4-7-2-3-8(13)6-9(7)17/h2-3,6H,4-5,13H2,1H3
InChIKeyBXDFRKBSTYRDII-UHFFFAOYSA-N
XLogP0.91
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine (CID 106465446) is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine is Cn1nnc(Br)c1S(=O)(=O)N1CCc2ccc(N)cc21.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is BXDFRKBSTYRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c1-16-11(10(12)14-15-16)20(18,19)17-5-4-7-2-3-8(13)6-9(7)17/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine has a molecular weight of 358.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 106465446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).