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

C21H20FNO4S — CID 46022383

IUPACN-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H20FNO4S/c1-26-19-9-11-21(12-10-19)28(24,25)23(15-16-5-3-6-17(22)13-16)18-7-4-8-20(14-18)27-2/h3-14H,15H2,1-2H3
InChIKeyREDUTBRBVDJWRK-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.24
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 46022383) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID46022383
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H20FNO4S/c1-26-19-9-11-21(12-10-19)28(24,25)23(15-16-5-3-6-17(22)13-16)18-7-4-8-20(14-18)27-2/h3-14H,15H2,1-2H3
InChIKeyREDUTBRBVDJWRK-UHFFFAOYSA-N
XLogP4.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 46022383) is N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(OC)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is REDUTBRBVDJWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-26-19-9-11-21(12-10-19)28(24,25)23(15-16-5-3-6-17(22)13-16)18-7-4-8-20(14-18)27-2/h3-14H,15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46022383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).