N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C22H19FN2O6S — CID 55911807

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C22H19FN2O6S/c1-29-19-12-14(13-20-21(19)31-11-10-30-20)22(26)24-17-4-2-3-5-18(17)25-32(27,28)16-8-6-15(23)7-9-16/h2-9,12-13,25H,10-11H2,1H3,(H,24,26)
InChIKeyZAZZXTAGLHUERQ-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55911807) has the molecular formula C22H19FN2O6S and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55911807
Molecular FormulaC22H19FN2O6S
Molecular Weight458.47 g/mol
Exact Mass458.09
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C22H19FN2O6S/c1-29-19-12-14(13-20-21(19)31-11-10-30-20)22(26)24-17-4-2-3-5-18(17)25-32(27,28)16-8-6-15(23)7-9-16/h2-9,12-13,25H,10-11H2,1H3,(H,24,26)
InChIKeyZAZZXTAGLHUERQ-UHFFFAOYSA-N
XLogP3.66
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30781226
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 33178495
N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
N-[3-(tert-butylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9371988
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17481972
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55471495
N-(4-carbamoylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777323

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55911807) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc2c1OCCO2.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is ZAZZXTAGLHUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6S/c1-29-19-12-14(13-20-21(19)31-11-10-30-20)22(26)24-17-4-2-3-5-18(17)25-32(27,28)16-8-6-15(23)7-9-16/h2-9,12-13,25H,10-11H2,1H3,(H,24,26).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55911807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).