1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine

C12H11BrN2O2S2 — CID 43343831

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-6-5-8-7-9(14)1-2-10(8)15/h1-4,7H,5-6,14H2
InChIKeyRHXRRYMTGIQDRS-UHFFFAOYSA-N
MW359.27 g/mol
LogP2.84
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine

1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 43343831) has the molecular formula C12H11BrN2O2S2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine
PubChem CID43343831
Molecular FormulaC12H11BrN2O2S2
Molecular Weight359.27 g/mol
Exact Mass357.94
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-6-5-8-7-9(14)1-2-10(8)15/h1-4,7H,5-6,14H2
InChIKeyRHXRRYMTGIQDRS-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide
CID 3238258
1-{3-[(5-Bromothien-2-yl)sulfonyl]propanoyl}indoline
CID 3238964
N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-thiophenesulfonamide
CID 1277401
2-Methyl-1-(2-thienylsulfonyl)indoline
CID 2943362
N-[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)methyl]-5-bromothiophene-2-sulfonamide
CID 16030870
[5-(2,3-Dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine
CID 43332884
[5-(2,3-Dihydroindol-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 155516687
5-Bromo-2-(indolinylsulfonyl)thiophene
CID 843670
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 156601347
5-bromo-N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)thiophene-2-sulfonamide
CID 49748660
4-Fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole
CID 23543507

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine (CID 43343831) is 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is RHXRRYMTGIQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-6-5-8-7-9(14)1-2-10(8)15/h1-4,7H,5-6,14H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine?
1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 359.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 43343831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).