N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C14H18N2O5S — CID 110398488

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCC3OCCCO3)ccc2N1
InChIInChI=1S/C14H18N2O5S/c17-13-9-10-8-11(2-3-12(10)16-13)22(18,19)15-5-4-14-20-6-1-7-21-14/h2-3,8,14-15H,1,4-7,9H2,(H,16,17)
InChIKeyMLCNAOQJKWIKQL-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.61
Rot. Bonds5

About N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110398488) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110398488
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCC3OCCCO3)ccc2N1
InChIInChI=1S/C14H18N2O5S/c17-13-9-10-8-11(2-3-12(10)16-13)22(18,19)15-5-4-14-20-6-1-7-21-14/h2-3,8,14-15H,1,4-7,9H2,(H,16,17)
InChIKeyMLCNAOQJKWIKQL-UHFFFAOYSA-N
XLogP0.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
N-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110398488) is N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCCC3OCCCO3)ccc2N1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is MLCNAOQJKWIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c17-13-9-10-8-11(2-3-12(10)16-13)22(18,19)15-5-4-14-20-6-1-7-21-14/h2-3,8,14-15H,1,4-7,9H2,(H,16,17).
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 326.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110398488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).