N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H14FNO4S — CID 110758953

IUPACN-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)OCCO2
InChIInChI=1S/C15H14FNO4S/c1-10-7-13-14(21-6-5-20-13)9-15(10)22(18,19)17-12-4-2-3-11(16)8-12/h2-4,7-9,17H,5-6H2,1H3
InChIKeyZUFIHDFGOHUHAZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.71
Rot. Bonds3

About N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110758953) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110758953
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)OCCO2
InChIInChI=1S/C15H14FNO4S/c1-10-7-13-14(21-6-5-20-13)9-15(10)22(18,19)17-12-4-2-3-11(16)8-12/h2-4,7-9,17H,5-6H2,1H3
InChIKeyZUFIHDFGOHUHAZ-UHFFFAOYSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605154
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110758953) is N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)OCCO2.
What is the InChIKey of N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ZUFIHDFGOHUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-7-13-14(21-6-5-20-13)9-15(10)22(18,19)17-12-4-2-3-11(16)8-12/h2-4,7-9,17H,5-6H2,1H3.
What are the key properties of N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 323.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110758953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).