N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide

C23H18FNO6S — CID 35346351

IUPACN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C23H18FNO6S/c1-29-16-11-12-19(30-2)20(13-16)32(27,28)25-21-17-5-3-4-6-18(17)31-23(21)22(26)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3
InChIKeyASJDUMXILBRHSO-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 35346351) has the molecular formula C23H18FNO6S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID35346351
Molecular FormulaC23H18FNO6S
Molecular Weight455.46 g/mol
Exact Mass455.08
IUPAC NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C23H18FNO6S/c1-29-16-11-12-19(30-2)20(13-16)32(27,28)25-21-17-5-3-4-6-18(17)31-23(21)22(26)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3
InChIKeyASJDUMXILBRHSO-UHFFFAOYSA-N
XLogP4.62
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 35346351) is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ASJDUMXILBRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO6S/c1-29-16-11-12-19(30-2)20(13-16)32(27,28)25-21-17-5-3-4-6-18(17)31-23(21)22(26)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3.
What are the key properties of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 455.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 35346351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).