2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone

C20H22N2O4S — CID 110343726

IUPAC2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1COCCN1S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-14-26-13-12-22(15)27(24,25)18-8-6-17(7-9-18)20(23)21-11-10-16-4-2-3-5-19(16)21/h2-9,15H,10-14H2,1H3
InChIKeyAXXYZWIYFOIKQV-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.30
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone

2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone (PubChem CID 110343726) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone
PubChem CID110343726
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1COCCN1S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-14-26-13-12-22(15)27(24,25)18-8-6-17(7-9-18)20(23)21-11-10-16-4-2-3-5-19(16)21/h2-9,15H,10-14H2,1H3
InChIKeyAXXYZWIYFOIKQV-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2128055
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone (CID 110343726) is 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone is CC1COCCN1S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The InChIKey is AXXYZWIYFOIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-14-26-13-12-22(15)27(24,25)18-8-6-17(7-9-18)20(23)21-11-10-16-4-2-3-5-19(16)21/h2-9,15H,10-14H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone?
2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone has a molecular weight of 386.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110343726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).