N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide

C16H15ClN2O4S — CID 166396248

IUPACN-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide
SMILESCC(=O)N1CCc2c(NS(=O)(=O)c3cccc(Cl)c3O)cccc21
InChIInChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3
InChIKeyOIXKKLRRYRMQMK-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.76
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide

N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide (PubChem CID 166396248) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide
PubChem CID166396248
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC NameN-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide
SMILESCC(=O)N1CCc2c(NS(=O)(=O)c3cccc(Cl)c3O)cccc21
InChIInChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3
InChIKeyOIXKKLRRYRMQMK-UHFFFAOYSA-N
XLogP2.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide (CID 166396248) is N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide is CC(=O)N1CCc2c(NS(=O)(=O)c3cccc(Cl)c3O)cccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide?
The InChIKey is OIXKKLRRYRMQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide?
N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 166396248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).