N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide

C17H14FNO4S — CID 118941613

IUPACN-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
SMILESCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-9-13(19-24(2,21)22)7-8-15(14)23-10/h3-9,19H,1-2H3
InChIKeyHRZQVLNTCZZKCY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.48
Rot. Bonds4

About N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide

N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide (PubChem CID 118941613) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
PubChem CID118941613
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC NameN-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
SMILESCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-9-13(19-24(2,21)22)7-8-15(14)23-10/h3-9,19H,1-2H3
InChIKeyHRZQVLNTCZZKCY-UHFFFAOYSA-N
XLogP3.48
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
[4-[2-butyl-5-(methanesulfonamido)-1-benzofuran-3-carbonyl]phenyl] trifluoromethanesulfonate
CID 71656620
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7728362
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrogen sulfate
CID 56941412
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
methyl 2-butyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 68747130
N-[2-butan-2-yl-3-[4-[3-(butylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
CID 22004703

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide (CID 118941613) is N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide is Cc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide?
The InChIKey is HRZQVLNTCZZKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-9-13(19-24(2,21)22)7-8-15(14)23-10/h3-9,19H,1-2H3.
What are the key properties of N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide?
N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide is sourced from PubChem (CID 118941613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).