[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol

C18H21NO4S — CID 143858301

IUPAC[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-8-16(23-3)9-13(2)18(12)24(21,22)19-15(11-20)10-14-6-4-5-7-17(14)19/h4-9,15,20H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyPMBKEELVJWSUOD-OAHLLOKOSA-N
MW347.44 g/mol
LogP2.42
Rot. Bonds4

About [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol

[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol (PubChem CID 143858301) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol
PubChem CID143858301
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol
SMILESCOc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-8-16(23-3)9-13(2)18(12)24(21,22)19-15(11-20)10-14-6-4-5-7-17(14)19/h4-9,15,20H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyPMBKEELVJWSUOD-OAHLLOKOSA-N
XLogP2.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol with MolForge

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Related Compounds

1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]ethanone
CID 68591596
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 67453807
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
N-[[4-(4-cyclopropylpiperazin-1-yl)-1-[2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]acetyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 68629160
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfanyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 143858275
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol
CID 167858402
[2-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methanol
CID 59486405
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
tert-butyl 3-(hydroxymethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 71166027
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The IUPAC name of [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol (CID 143858301) is [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol is COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(C)c1.
What is the InChIKey of [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The InChIKey is PMBKEELVJWSUOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-8-16(23-3)9-13(2)18(12)24(21,22)19-15(11-20)10-14-6-4-5-7-17(14)19/h4-9,15,20H,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol has a molecular weight of 347.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol is sourced from PubChem (CID 143858301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).