2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C20H21ClN2O4S — CID 19258968

IUPAC2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H21ClN2O4S/c21-17-3-1-15(2-4-17)13-20(24)23-8-7-16-14-18(5-6-19(16)23)28(25,26)22-9-11-27-12-10-22/h1-6,14H,7-13H2
InChIKeyXGVQSKQRWGCZIW-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 19258968) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID19258968
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H21ClN2O4S/c21-17-3-1-15(2-4-17)13-20(24)23-8-7-16-14-18(5-6-19(16)23)28(25,26)22-9-11-27-12-10-22/h1-6,14H,7-13H2
InChIKeyXGVQSKQRWGCZIW-UHFFFAOYSA-N
XLogP2.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 19258968) is 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XGVQSKQRWGCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c21-17-3-1-15(2-4-17)13-20(24)23-8-7-16-14-18(5-6-19(16)23)28(25,26)22-9-11-27-12-10-22/h1-6,14H,7-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 420.92 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 19258968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).