4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

C15H14FNO4S — CID 110778052

IUPAC4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCO2
InChIInChI=1S/C15H14FNO4S/c1-10-8-14-15(21-7-6-20-14)9-13(10)17-22(18,19)12-4-2-11(16)3-5-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyIKOXOMHWMKZYDN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.71
Rot. Bonds3

About 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 110778052) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID110778052
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCO2
InChIInChI=1S/C15H14FNO4S/c1-10-8-14-15(21-7-6-20-14)9-13(10)17-22(18,19)12-4-2-11(16)3-5-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyIKOXOMHWMKZYDN-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-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 69083028
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide
CID 39876899
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 110778052) is 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is Cc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCO2.
What is the InChIKey of 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is IKOXOMHWMKZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-8-14-15(21-7-6-20-14)9-13(10)17-22(18,19)12-4-2-11(16)3-5-12/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide 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 4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 110778052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).