[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone

C20H22N2O4S — CID 53160216

IUPAC[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CCCC4)cccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-26-15-7-9-16(10-8-15)27(24,25)22-14-11-17-18(5-4-6-19(17)22)20(23)21-12-2-3-13-21/h4-10H,2-3,11-14H2,1H3
InChIKeyLHWWQWRGNBNQTI-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.68
Rot. Bonds4

About [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone

[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53160216) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53160216
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CCCC4)cccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-26-15-7-9-16(10-8-15)27(24,25)22-14-11-17-18(5-4-6-19(17)22)20(23)21-12-2-3-13-21/h4-10H,2-3,11-14H2,1H3
InChIKeyLHWWQWRGNBNQTI-UHFFFAOYSA-N
XLogP2.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-propan-2-yl-2,3-dihydroindole-4-carboxamide
CID 53160204
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 7809130
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918401
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2671434
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone (CID 53160216) is [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CCCC4)cccc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LHWWQWRGNBNQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-26-15-7-9-16(10-8-15)27(24,25)22-14-11-17-18(5-4-6-19(17)22)20(23)21-12-2-3-13-21/h4-10H,2-3,11-14H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53160216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).