[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone

C25H24N2O4S — CID 46383992

IUPAC[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C25H24N2O4S/c28-25(26-14-16-31-17-15-26)20-8-6-19(7-9-20)21-10-11-24-22(18-21)12-13-27(24)32(29,30)23-4-2-1-3-5-23/h1-11,18H,12-17H2
InChIKeyUNOSASWYQVODBM-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.58
Rot. Bonds4

About [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 46383992) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID46383992
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C25H24N2O4S/c28-25(26-14-16-31-17-15-26)20-8-6-19(7-9-20)21-10-11-24-22(18-21)12-13-27(24)32(29,30)23-4-2-1-3-5-23/h1-11,18H,12-17H2
InChIKeyUNOSASWYQVODBM-UHFFFAOYSA-N
XLogP3.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160542
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2556963
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383982

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 46383992) is [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is UNOSASWYQVODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c28-25(26-14-16-31-17-15-26)20-8-6-19(7-9-20)21-10-11-24-22(18-21)12-13-27(24)32(29,30)23-4-2-1-3-5-23/h1-11,18H,12-17H2.
What are the key properties of [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 448.54 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).