1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

C16H15BrN2O4S — CID 55448423

IUPAC1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c17-13-3-1-2-4-15(13)23-10-16(20)19-8-7-11-9-12(24(18,21)22)5-6-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)
InChIKeyMNIKUKAJCXLYFB-UHFFFAOYSA-N
MW411.28 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55448423) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55448423
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c17-13-3-1-2-4-15(13)23-10-16(20)19-8-7-11-9-12(24(18,21)22)5-6-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)
InChIKeyMNIKUKAJCXLYFB-UHFFFAOYSA-N
XLogP2.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
CID 27309776
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934781
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55448423) is 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MNIKUKAJCXLYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c17-13-3-1-2-4-15(13)23-10-16(20)19-8-7-11-9-12(24(18,21)22)5-6-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22).
What are the key properties of 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 411.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).