1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide

C16H14BrClN2O3S — CID 26488025

IUPAC1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21
InChIInChI=1S/C16H14BrClN2O3S/c1-10(21)20-7-6-11-8-13(3-5-16(11)20)24(22,23)19-15-4-2-12(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyRYHUFLXZRFNMSY-UHFFFAOYSA-N
MW429.72 g/mol
LogP3.81
Rot. Bonds3

About 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 26488025) has the molecular formula C16H14BrClN2O3S and a molecular weight of 429.72 g/mol. Its IUPAC name is 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID26488025
Molecular FormulaC16H14BrClN2O3S
Molecular Weight429.72 g/mol
Exact Mass427.96
IUPAC Name1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21
InChIInChI=1S/C16H14BrClN2O3S/c1-10(21)20-7-6-11-8-13(3-5-16(11)20)24(22,23)19-15-4-2-12(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyRYHUFLXZRFNMSY-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 58565725
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
1-acetyl-N-(2-thiophen-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 17469301
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide (CID 26488025) is 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21.
What is the InChIKey of 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RYHUFLXZRFNMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3S/c1-10(21)20-7-6-11-8-13(3-5-16(11)20)24(22,23)19-15-4-2-12(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 429.72 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26488025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).