1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide

C13H11BrN2O3S2 — CID 107965281

IUPAC1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1csc(Br)c1
InChIInChI=1S/C13H11BrN2O3S2/c14-12-6-9(7-20-12)13(17)16-4-3-8-5-10(21(15,18)19)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,15,18,19)
InChIKeyDHZPKDXRHCTZRX-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.36
Rot. Bonds2

About 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide

1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 107965281) has the molecular formula C13H11BrN2O3S2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID107965281
Molecular FormulaC13H11BrN2O3S2
Molecular Weight387.28 g/mol
Exact Mass385.94
IUPAC Name1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1csc(Br)c1
InChIInChI=1S/C13H11BrN2O3S2/c14-12-6-9(7-20-12)13(17)16-4-3-8-5-10(21(15,18)19)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,15,18,19)
InChIKeyDHZPKDXRHCTZRX-UHFFFAOYSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 63081047
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 107965281) is 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DHZPKDXRHCTZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S2/c14-12-6-9(7-20-12)13(17)16-4-3-8-5-10(21(15,18)19)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,15,18,19).
What are the key properties of 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 387.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 107965281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).