2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

C20H22N2O4S — CID 3587175

IUPAC2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O4S/c1-15-6-7-17(27(24,25)21-10-12-26-13-11-21)14-18(15)20(23)22-9-8-16-4-2-3-5-19(16)22/h2-7,14H,8-13H2,1H3
InChIKeyHAUHWNDNQCBSJR-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.22
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 3587175) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID3587175
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O4S/c1-15-6-7-17(27(24,25)21-10-12-26-13-11-21)14-18(15)20(23)22-9-8-16-4-2-3-5-19(16)22/h2-7,14H,8-13H2,1H3
InChIKeyHAUHWNDNQCBSJR-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (CID 3587175) is 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is HAUHWNDNQCBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-6-7-17(27(24,25)21-10-12-26-13-11-21)14-18(15)20(23)22-9-8-16-4-2-3-5-19(16)22/h2-7,14H,8-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
2,3-dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 386.47 g/mol, XLogP of 2.22, 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-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 3587175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).