N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide

C22H16ClFN2O5S — CID 19109374

IUPACN-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)oc3ccccc23)cc1F
InChIInChI=1S/C22H16ClFN2O5S/c1-30-19-11-10-15(12-17(19)24)32(28,29)26-20-16-4-2-3-5-18(16)31-21(20)22(27)25-14-8-6-13(23)7-9-14/h2-12,26H,1H3,(H,25,27)
InChIKeyVPIQOTVLEHBYPS-UHFFFAOYSA-N
MW474.90 g/mol
LogP5.29
Rot. Bonds6

About N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide

N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide (PubChem CID 19109374) has the molecular formula C22H16ClFN2O5S and a molecular weight of 474.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide
PubChem CID19109374
Molecular FormulaC22H16ClFN2O5S
Molecular Weight474.90 g/mol
Exact Mass474.05
IUPAC NameN-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)oc3ccccc23)cc1F
InChIInChI=1S/C22H16ClFN2O5S/c1-30-19-11-10-15(12-17(19)24)32(28,29)26-20-16-4-2-3-5-18(16)31-21(20)22(27)25-14-8-6-13(23)7-9-14/h2-12,26H,1H3,(H,25,27)
InChIKeyVPIQOTVLEHBYPS-UHFFFAOYSA-N
XLogP5.29
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
CID 7160080
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818010
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide (CID 19109374) is N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide is COc1ccc(S(=O)(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)oc3ccccc23)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide?
The InChIKey is VPIQOTVLEHBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O5S/c1-30-19-11-10-15(12-17(19)24)32(28,29)26-20-16-4-2-3-5-18(16)31-21(20)22(27)25-14-8-6-13(23)7-9-14/h2-12,26H,1H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide?
N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide has a molecular weight of 474.90 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19109374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).