1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol

C16H17NO5S — CID 19009089

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(O)c3ccccc32)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-8-7-11(9-16(15)22-2)23(19,20)17-10-14(18)12-5-3-4-6-13(12)17/h3-9,14,18H,10H2,1-2H3
InChIKeyXPZFJJJPRXUPMP-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.95
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol

1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol (PubChem CID 19009089) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
PubChem CID19009089
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(O)c3ccccc32)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-8-7-11(9-16(15)22-2)23(19,20)17-10-14(18)12-5-3-4-6-13(12)17/h3-9,14,18H,10H2,1-2H3
InChIKeyXPZFJJJPRXUPMP-UHFFFAOYSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 78686841
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
CID 91946252
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669
(2R)-4-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92678426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol (CID 19009089) is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol is COc1ccc(S(=O)(=O)N2CC(O)c3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol?
The InChIKey is XPZFJJJPRXUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-15-8-7-11(9-16(15)22-2)23(19,20)17-10-14(18)12-5-3-4-6-13(12)17/h3-9,14,18H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol?
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol has a molecular weight of 335.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol is sourced from PubChem (CID 19009089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).