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

C18H21FN2O3S — CID 90582373

IUPAC4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(19)4-6-18(12)25(23,24)20-11-17(22)14-3-5-16-13(10-14)7-8-21(16)2/h3-6,9-10,17,20,22H,7-8,11H2,1-2H3
InChIKeyIYBPHHNORUGAFR-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.14
Rot. Bonds5

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

4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 90582373) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID90582373
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(19)4-6-18(12)25(23,24)20-11-17(22)14-3-5-16-13(10-14)7-8-21(16)2/h3-6,9-10,17,20,22H,7-8,11H2,1-2H3
InChIKeyIYBPHHNORUGAFR-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582385
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-4-methylbenzenesulfonamide
CID 90582352
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
4-ethoxy-3-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582429
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582387
2,4-dimethyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578732
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 16907748
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide (CID 90582373) is 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is IYBPHHNORUGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-9-15(19)4-6-18(12)25(23,24)20-11-17(22)14-3-5-16-13(10-14)7-8-21(16)2/h3-6,9-10,17,20,22H,7-8,11H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 90582373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).