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

C21H20FNO3S — CID 42841886

IUPACN-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(F)c2)c1
InChIInChI=1S/C21H20FNO3S/c1-16-9-11-17(12-10-16)15-23(19-6-3-5-18(22)13-19)27(24,25)21-8-4-7-20(14-21)26-2/h3-14H,15H2,1-2H3
InChIKeyCUTKXZNHNIZPRM-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.54
Rot. Bonds6

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

N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 42841886) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID42841886
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(F)c2)c1
InChIInChI=1S/C21H20FNO3S/c1-16-9-11-17(12-10-16)15-23(19-6-3-5-18(22)13-19)27(24,25)21-8-4-7-20(14-21)26-2/h3-14H,15H2,1-2H3
InChIKeyCUTKXZNHNIZPRM-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 42841886) is N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is CUTKXZNHNIZPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16-9-11-17(12-10-16)15-23(19-6-3-5-18(22)13-19)27(24,25)21-8-4-7-20(14-21)26-2/h3-14H,15H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).