N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

C21H20FNO3S — CID 46022824

IUPACN-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-8-9-18(22)14-21(16)27(24,25)23(15-17-6-4-3-5-7-17)19-10-12-20(26-2)13-11-19/h3-14H,15H2,1-2H3
InChIKeyVZMMPZNBMRTRSA-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.54
Rot. Bonds6

About N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 46022824) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID46022824
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-8-9-18(22)14-21(16)27(24,25)23(15-17-6-4-3-5-7-17)19-10-12-20(26-2)13-11-19/h3-14H,15H2,1-2H3
InChIKeyVZMMPZNBMRTRSA-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-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 46022824) is N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2C)cc1.
What is the InChIKey of N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is VZMMPZNBMRTRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16-8-9-18(22)14-21(16)27(24,25)23(15-17-6-4-3-5-7-17)19-10-12-20(26-2)13-11-19/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide 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-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46022824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).