4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide

C19H22N2O4S — CID 90582387

IUPAC4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(22)14-3-6-17(7-4-14)26(24,25)20-12-19(23)16-5-8-18-15(11-16)9-10-21(18)2/h3-8,11,19-20,23H,9-10,12H2,1-2H3
InChIKeyIFBFRNQDSCFDRP-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.89
Rot. Bonds6

About 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide

4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide (PubChem CID 90582387) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
PubChem CID90582387
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(22)14-3-6-17(7-4-14)26(24,25)20-12-19(23)16-5-8-18-15(11-16)9-10-21(18)2/h3-8,11,19-20,23H,9-10,12H2,1-2H3
InChIKeyIFBFRNQDSCFDRP-UHFFFAOYSA-N
XLogP1.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-4-methylbenzenesulfonamide
CID 90582352
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
4-ethoxy-3-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582429
2,4-difluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582385
4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582373
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 40828857
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide (CID 90582387) is 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is IFBFRNQDSCFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(22)14-3-6-17(7-4-14)26(24,25)20-12-19(23)16-5-8-18-15(11-16)9-10-21(18)2/h3-8,11,19-20,23H,9-10,12H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90582387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).