N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C19H21N3O4S — CID 110637346

IUPACN-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1CN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CCO1
InChIInChI=1S/C19H21N3O4S/c1-13-12-22(8-9-26-13)16-4-2-15(3-5-16)21-27(24,25)17-6-7-18-14(10-17)11-19(23)20-18/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyMCTNMWJBUMQFNQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.21
Rot. Bonds4

About N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110637346) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110637346
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1CN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CCO1
InChIInChI=1S/C19H21N3O4S/c1-13-12-22(8-9-26-13)16-4-2-15(3-5-16)21-27(24,25)17-6-7-18-14(10-17)11-19(23)20-18/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyMCTNMWJBUMQFNQ-UHFFFAOYSA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113024917
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(1H-indol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110730882
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43383153
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110637346) is N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC1CN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is MCTNMWJBUMQFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-12-22(8-9-26-13)16-4-2-15(3-5-16)21-27(24,25)17-6-7-18-14(10-17)11-19(23)20-18/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110637346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).