5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H16ClFN2O4S — CID 166206767

IUPAC5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C21H16ClFN2O4S/c22-14-5-10-19-13(11-14)12-20(29-19)21(26)24-17-3-1-2-4-18(17)25-30(27,28)16-8-6-15(23)7-9-16/h1-11,20,25H,12H2,(H,24,26)
InChIKeyWFICSCPUBWAHDO-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 166206767) has the molecular formula C21H16ClFN2O4S and a molecular weight of 446.89 g/mol. Its IUPAC name is 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID166206767
Molecular FormulaC21H16ClFN2O4S
Molecular Weight446.89 g/mol
Exact Mass446.05
IUPAC Name5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C21H16ClFN2O4S/c22-14-5-10-19-13(11-14)12-20(29-19)21(26)24-17-3-1-2-4-18(17)25-30(27,28)16-8-6-15(23)7-9-16/h1-11,20,25H,12H2,(H,24,26)
InChIKeyWFICSCPUBWAHDO-UHFFFAOYSA-N
XLogP4.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24513759
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119264337
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 166206767) is 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WFICSCPUBWAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O4S/c22-14-5-10-19-13(11-14)12-20(29-19)21(26)24-17-3-1-2-4-18(17)25-30(27,28)16-8-6-15(23)7-9-16/h1-11,20,25H,12H2,(H,24,26).
What are the key properties of 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166206767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).