5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C15H16FNO4S — CID 53288976

IUPAC5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C15H16FNO4S/c1-20-13-5-3-4-11(8-13)10-17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3
InChIKeyHSKYHJAPRZDXQW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.32
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 53288976) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID53288976
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC Name5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C15H16FNO4S/c1-20-13-5-3-4-11(8-13)10-17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3
InChIKeyHSKYHJAPRZDXQW-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

N-[4-methoxy-3-[(3-methoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 31481450
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 43258744
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 53288976) is 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CNS(=O)(=O)c2cc(F)ccc2OC)c1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is HSKYHJAPRZDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-20-13-5-3-4-11(8-13)10-17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(3-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 5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 53288976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).