N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide

C22H23NO3S — CID 69337322

IUPACN-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
SMILESCCc1cccc(-c2ccccc2CNS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C22H23NO3S/c1-3-17-9-8-11-18(15-17)20-12-5-4-10-19(20)16-23-27(24,25)22-14-7-6-13-21(22)26-2/h4-15,23H,3,16H2,1-2H3
InChIKeyKOGUSLOJUMAGQN-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.40
Rot. Bonds7

About N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide

N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 69337322) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
PubChem CID69337322
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
SMILESCCc1cccc(-c2ccccc2CNS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C22H23NO3S/c1-3-17-9-8-11-18(15-17)20-12-5-4-10-19(20)16-23-27(24,25)22-14-7-6-13-21(22)26-2/h4-15,23H,3,16H2,1-2H3
InChIKeyKOGUSLOJUMAGQN-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2-methoxy-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 86854873
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide (CID 69337322) is N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide is CCc1cccc(-c2ccccc2CNS(=O)(=O)c2ccccc2OC)c1.
What is the InChIKey of N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is KOGUSLOJUMAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-3-17-9-8-11-18(15-17)20-12-5-4-10-19(20)16-23-27(24,25)22-14-7-6-13-21(22)26-2/h4-15,23H,3,16H2,1-2H3.
What are the key properties of N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide?
N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 69337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).