N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide

C20H19NO3S — CID 57388637

IUPACN-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
SMILESCOc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H19NO3S/c1-24-19-12-8-9-17(15-19)16-21(18-10-4-2-5-11-18)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3
InChIKeyLKPKNFBJROOIQL-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.09
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide

N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 57388637) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
PubChem CID57388637
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
SMILESCOc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H19NO3S/c1-24-19-12-8-9-17(15-19)16-21(18-10-4-2-5-11-18)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3
InChIKeyLKPKNFBJROOIQL-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022176
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 78881152
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 46022695
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide (CID 57388637) is N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide is COc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is LKPKNFBJROOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-24-19-12-8-9-17(15-19)16-21(18-10-4-2-5-11-18)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide?
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 57388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).