1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C19H24N2O4S — CID 42946432

IUPAC1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(C(C)O)cc1CN1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C19H24N2O4S/c1-12-8-15-10-17(26(20,23)24)5-6-18(15)21(12)11-16-9-14(13(2)22)4-7-19(16)25-3/h4-7,9-10,12-13,22H,8,11H2,1-3H3,(H2,20,23,24)
InChIKeyOZOBLONBPXQULV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.35
Rot. Bonds5

About 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 42946432) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID42946432
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(C(C)O)cc1CN1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C19H24N2O4S/c1-12-8-15-10-17(26(20,23)24)5-6-18(15)21(12)11-16-9-14(13(2)22)4-7-19(16)25-3/h4-7,9-10,12-13,22H,8,11H2,1-3H3,(H2,20,23,24)
InChIKeyOZOBLONBPXQULV-UHFFFAOYSA-N
XLogP2.35
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678385
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 42946432) is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(C(C)O)cc1CN1c2ccc(S(N)(=O)=O)cc2CC1C.
What is the InChIKey of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OZOBLONBPXQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12-8-15-10-17(26(20,23)24)5-6-18(15)21(12)11-16-9-14(13(2)22)4-7-19(16)25-3/h4-7,9-10,12-13,22H,8,11H2,1-3H3,(H2,20,23,24).
What are the key properties of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 42946432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).