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

C17H19N3O4S — CID 112981006

IUPACN-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-9-8-18-13-2-4-14(5-3-13)20-25(22,23)15-6-7-16-12(10-15)11-17(21)19-16/h2-7,10,18,20H,8-9,11H2,1H3,(H,19,21)
InChIKeyASDOOGXTZLAKCA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.04
Rot. Bonds7

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

N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 112981006) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID112981006
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-9-8-18-13-2-4-14(5-3-13)20-25(22,23)15-6-7-16-12(10-15)11-17(21)19-16/h2-7,10,18,20H,8-9,11H2,1H3,(H,19,21)
InChIKeyASDOOGXTZLAKCA-UHFFFAOYSA-N
XLogP2.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
CID 112983211
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
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-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 112981006) is N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is ASDOOGXTZLAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-9-8-18-13-2-4-14(5-3-13)20-25(22,23)15-6-7-16-12(10-15)11-17(21)19-16/h2-7,10,18,20H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 112981006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).