4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C15H16FNO4S — CID 7574386

IUPAC4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C15H16FNO4S/c1-20-12-5-3-11(4-6-12)10-17-22(18,19)13-7-8-14(16)15(9-13)21-2/h3-9,17H,10H2,1-2H3
InChIKeyLRWAGSLVMZSJPT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.32
Rot. Bonds6

About 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 7574386) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID7574386
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC Name4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C15H16FNO4S/c1-20-12-5-3-11(4-6-12)10-17-22(18,19)13-7-8-14(16)15(9-13)21-2/h3-9,17H,10H2,1-2H3
InChIKeyLRWAGSLVMZSJPT-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
[4-[[(4-fluoro-3-methoxyphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923740
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 7574386) is 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)cc1.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is LRWAGSLVMZSJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-20-12-5-3-11(4-6-12)10-17-22(18,19)13-7-8-14(16)15(9-13)21-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 7574386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).