N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C16H19N3O6S — CID 17414042

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O6S/c1-17-10-14(15(20)19(3)16(17)21)26(22,23)18(2)9-11-4-5-12-13(8-11)25-7-6-24-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVVBQIYJRYDTRFS-UHFFFAOYSA-N
MW381.41 g/mol
LogP-0.32
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 17414042) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID17414042
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O6S/c1-17-10-14(15(20)19(3)16(17)21)26(22,23)18(2)9-11-4-5-12-13(8-11)25-7-6-24-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVVBQIYJRYDTRFS-UHFFFAOYSA-N
XLogP-0.32
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 55559463
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylethanesulfonamide
CID 107650846
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 31392013
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 26943996
methyl 4-chloro-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)sulfamoyl]benzoate
CID 35306104
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 30173853
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 110753670
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 17414042) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is VVBQIYJRYDTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-17-10-14(15(20)19(3)16(17)21)26(22,23)18(2)9-11-4-5-12-13(8-11)25-7-6-24-12/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 381.41 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 17414042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).