1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C17H19NO4S — CID 19683272

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)c(OC)c1
InChIInChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)17-9-8-14(21-2)11-16(17)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyNEIAIJWCKVIGGL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.84
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 19683272) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID19683272
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)c(OC)c1
InChIInChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)17-9-8-14(21-2)11-16(17)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyNEIAIJWCKVIGGL-UHFFFAOYSA-N
XLogP2.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110750681
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 19683272) is 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2c3ccccc3CC2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is NEIAIJWCKVIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)17-9-8-14(21-2)11-16(17)22-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 333.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 19683272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).