N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H19FN2O6S — CID 42908243

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H19FN2O6S/c20-14-6-5-13(11-18(14)29(24,25)22-7-9-26-10-8-22)21-19(23)17-12-27-15-3-1-2-4-16(15)28-17/h1-6,11,17H,7-10,12H2,(H,21,23)
InChIKeyJQNGBKWULVGAQJ-UHFFFAOYSA-N
MW422.43 g/mol
LogP1.63
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 42908243) has the molecular formula C19H19FN2O6S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID42908243
Molecular FormulaC19H19FN2O6S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1COc2ccccc2O1
InChIInChI=1S/C19H19FN2O6S/c20-14-6-5-13(11-18(14)29(24,25)22-7-9-26-10-8-22)21-19(23)17-12-27-15-3-1-2-4-16(15)28-17/h1-6,11,17H,7-10,12H2,(H,21,23)
InChIKeyJQNGBKWULVGAQJ-UHFFFAOYSA-N
XLogP1.63
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51537533
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41000679
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55414019
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974368
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800
N-[3-[bis(benzenesulfonyl)amino]-4-fluorophenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 166376399
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 60619156
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 42908243) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1COc2ccccc2O1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JQNGBKWULVGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O6S/c20-14-6-5-13(11-18(14)29(24,25)22-7-9-26-10-8-22)21-19(23)17-12-27-15-3-1-2-4-16(15)28-17/h1-6,11,17H,7-10,12H2,(H,21,23).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 42908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).