N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide

C16H15F2NO4S — CID 31392013

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO4S/c1-19(24(20,21)16-12(17)3-2-4-13(16)18)10-11-5-6-14-15(9-11)23-8-7-22-14/h2-6,9H,7-8,10H2,1H3
InChIKeyNRLZBTSOCSOBKP-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.56
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide (PubChem CID 31392013) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide
PubChem CID31392013
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO4S/c1-19(24(20,21)16-12(17)3-2-4-13(16)18)10-11-5-6-14-15(9-11)23-8-7-22-14/h2-6,9H,7-8,10H2,1H3
InChIKeyNRLZBTSOCSOBKP-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391407
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylethanesulfonamide
CID 107650846
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
N-(1,3-benzodioxol-5-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 43029551
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17414042
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 26943996
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide (CID 31392013) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide?
The InChIKey is NRLZBTSOCSOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-19(24(20,21)16-12(17)3-2-4-13(16)18)10-11-5-6-14-15(9-11)23-8-7-22-14/h2-6,9H,7-8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide has a molecular weight of 355.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 31392013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).