N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C22H23NO5S — CID 24719654

IUPACN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23NO5S/c1-26-19-12-9-17(10-13-19)16-23(29(24,25)20-7-5-4-6-8-20)18-11-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3
InChIKeyUURICXFNLPUZHM-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.11
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 24719654) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID24719654
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23NO5S/c1-26-19-12-9-17(10-13-19)16-23(29(24,25)20-7-5-4-6-8-20)18-11-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3
InChIKeyUURICXFNLPUZHM-UHFFFAOYSA-N
XLogP4.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 42841941
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
4-tert-butyl-N-[(4-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 162671390
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 24719654) is N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is UURICXFNLPUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-26-19-12-9-17(10-13-19)16-23(29(24,25)20-7-5-4-6-8-20)18-11-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 24719654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).