1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole

C16H17NO4S — CID 653531

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H17NO4S/c1-20-13-7-8-15(21-2)16(11-13)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3
InChIKeyVZFAETMGMXHGSN-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole

1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 653531) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID653531
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H17NO4S/c1-20-13-7-8-15(21-2)16(11-13)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3
InChIKeyVZFAETMGMXHGSN-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
(E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
CID 1347643
1-(3,4-Dimethoxy-benzenesulfonyl)-2,3-dihydro-1H-indole
CID 667701
[2-(1-Benzenesulfonyl-5-methoxy-2,3-dihydro-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10269916
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(2-ethylphenyl)piperazine
CID 1298178
1-[(2-Methoxy-5-methylphenyl)sulfonyl]-2-methylindoline
CID 2956783
1-((4-Ethoxyphenyl)sulfonyl)-2-methylindoline
CID 4129908
1-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-2-methyl-2,3-dihydroindole
CID 5170108
5-(2-methoxy-5-methylphenyl)sulfonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16304532
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-phenylpiperazine
CID 1106576
1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 778296
1-(2,5-Diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1260962

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole (CID 653531) is 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is VZFAETMGMXHGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-13-7-8-15(21-2)16(11-13)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 319.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 653531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).