N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide

C15H14FNO4S — CID 82156500

IUPACN-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-10(18)11-3-8-15(21-2)14(9-11)17-22(19,20)13-6-4-12(16)5-7-13/h3-9,17H,1-2H3
InChIKeyBWVJTHKMJZYVPC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.84
Rot. Bonds5

About N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide

N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 82156500) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID82156500
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-10(18)11-3-8-15(21-2)14(9-11)17-22(19,20)13-6-4-12(16)5-7-13/h3-9,17H,1-2H3
InChIKeyBWVJTHKMJZYVPC-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide (CID 82156500) is N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide is COc1ccc(C(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is BWVJTHKMJZYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10(18)11-3-8-15(21-2)14(9-11)17-22(19,20)13-6-4-12(16)5-7-13/h3-9,17H,1-2H3.
What are the key properties of N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide?
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 323.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 82156500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).