N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide

C19H20N2O5S — CID 58932585

IUPACN-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2
InChIInChI=1S/C19H20N2O5S/c1-21(13-14-6-3-2-4-7-14)27(23,24)15-8-9-17-16(12-15)19(18(22)20-17)25-10-5-11-26-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)
InChIKeyZYNQHTCJNHFWMJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.05
Rot. Bonds4

About N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide

N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide (PubChem CID 58932585) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
PubChem CID58932585
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2
InChIInChI=1S/C19H20N2O5S/c1-21(13-14-6-3-2-4-7-14)27(23,24)15-8-9-17-16(12-15)19(18(22)20-17)25-10-5-11-26-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)
InChIKeyZYNQHTCJNHFWMJ-UHFFFAOYSA-N
XLogP2.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
CID 68654808
5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 67532672
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 46834728
N-benzyl-N,2-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812342
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
methyl 2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-carboxylate
CID 68658424
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 67821805
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide (CID 58932585) is N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2.
What is the InChIKey of N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide?
The InChIKey is ZYNQHTCJNHFWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-21(13-14-6-3-2-4-7-14)27(23,24)15-8-9-17-16(12-15)19(18(22)20-17)25-10-5-11-26-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide?
N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide is sourced from PubChem (CID 58932585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).