N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H22N2O4S — CID 90582457

IUPACN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN1CCc2cc(C(O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C19H22N2O4S/c1-21-8-6-13-10-14(2-4-17(13)21)18(22)12-20-26(23,24)16-3-5-19-15(11-16)7-9-25-19/h2-5,10-11,18,20,22H,6-9,12H2,1H3
InChIKeyWSOIBEWUBJHALN-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.63
Rot. Bonds5

About N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 90582457) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID90582457
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN1CCc2cc(C(O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C19H22N2O4S/c1-21-8-6-13-10-14(2-4-17(13)21)18(22)12-20-26(23,24)16-3-5-19-15(11-16)7-9-25-19/h2-5,10-11,18,20,22H,6-9,12H2,1H3
InChIKeyWSOIBEWUBJHALN-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.63
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
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582387
3-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-methoxybenzenesulfonamide
CID 97105738
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90580902
4-ethoxy-3-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582429
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862
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
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90580894
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 90582457) is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CN1CCc2cc(C(O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is WSOIBEWUBJHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21-8-6-13-10-14(2-4-17(13)21)18(22)12-20-26(23,24)16-3-5-19-15(11-16)7-9-25-19/h2-5,10-11,18,20,22H,6-9,12H2,1H3.
What are the key properties of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 90582457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).