3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

C16H17NO4S — CID 132581058

IUPAC3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CC(OC)c3ccccc32)cc1
InChIInChI=1S/C16H17NO4S/c1-20-12-7-9-13(10-8-12)22(18,19)17-11-16(21-2)14-5-3-4-6-15(14)17/h3-10,16H,11H2,1-2H3
InChIKeyVHRQWWHIVHDHRD-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.59
Rot. Bonds4

About 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 132581058) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID132581058
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CC(OC)c3ccccc32)cc1
InChIInChI=1S/C16H17NO4S/c1-20-12-7-9-13(10-8-12)22(18,19)17-11-16(21-2)14-5-3-4-6-15(14)17/h3-10,16H,11H2,1-2H3
InChIKeyVHRQWWHIVHDHRD-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
CID 138976936
4-deuterio-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinazoline
CID 175912548
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
(2S)-4-(4-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26008329
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 56797616
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
CID 19009089
methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669
2-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]acetic acid
CID 70891893
(2S)-4-(4-methoxyphenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 100569575

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 132581058) is 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CC(OC)c3ccccc32)cc1.
What is the InChIKey of 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is VHRQWWHIVHDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-12-7-9-13(10-8-12)22(18,19)17-11-16(21-2)14-5-3-4-6-15(14)17/h3-10,16H,11H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 319.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 132581058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).