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

C12H10BrClN2O2S2 — CID 80578213

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)c(Br)s1)CC2
InChIInChI=1S/C12H10BrClN2O2S2/c13-12-9(14)6-11(19-12)20(17,18)16-4-3-7-1-2-8(15)5-10(7)16/h1-2,5-6H,3-4,15H2
InChIKeyZFGGSHNOGJDQKW-UHFFFAOYSA-N
MW393.72 g/mol
LogP3.50
Rot. Bonds2

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

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 80578213) has the molecular formula C12H10BrClN2O2S2 and a molecular weight of 393.72 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID80578213
Molecular FormulaC12H10BrClN2O2S2
Molecular Weight393.72 g/mol
Exact Mass391.91
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)c(Br)s1)CC2
InChIInChI=1S/C12H10BrClN2O2S2/c13-12-9(14)6-11(19-12)20(17,18)16-4-3-7-1-2-8(15)5-10(7)16/h1-2,5-6H,3-4,15H2
InChIKeyZFGGSHNOGJDQKW-UHFFFAOYSA-N
XLogP3.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine (CID 80578213) is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)c(Br)s1)CC2.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is ZFGGSHNOGJDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S2/c13-12-9(14)6-11(19-12)20(17,18)16-4-3-7-1-2-8(15)5-10(7)16/h1-2,5-6H,3-4,15H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine?
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine has a molecular weight of 393.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 80578213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).