N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C19H22N2O4S — CID 131939267

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(CCC1CCCCO1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-21(11-10-13-5-2-3-12-25-13)26(23,24)17-9-8-16-18-14(17)6-4-7-15(18)19(22)20-16/h4,6-9,13H,2-3,5,10-12H2,1H3,(H,20,22)
InChIKeyRUJUEVLFCWMTKK-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 131939267) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID131939267
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(CCC1CCCCO1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-21(11-10-13-5-2-3-12-25-13)26(23,24)17-9-8-16-18-14(17)6-4-7-15(18)19(22)20-16/h4,6-9,13H,2-3,5,10-12H2,1H3,(H,20,22)
InChIKeyRUJUEVLFCWMTKK-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide with MolForge

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Related Compounds

2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
N-[(8S)-3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 40851726
6-[[(3aR,7aS)-5-methyl-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]sulfonyl]-1H-benzo[cd]indol-2-one
CID 138381911
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 131939267) is N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CN(CCC1CCCCO1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is RUJUEVLFCWMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21(11-10-13-5-2-3-12-25-13)26(23,24)17-9-8-16-18-14(17)6-4-7-15(18)19(22)20-16/h4,6-9,13H,2-3,5,10-12H2,1H3,(H,20,22).
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 131939267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).