N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide

C16H19NO4S — CID 31827805

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-15-8-9-16(21-2)14(10-15)11-17-22(18,19)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyKAWFRAPCZXHZKM-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.32
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide

N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 31827805) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
PubChem CID31827805
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-15-8-9-16(21-2)14(10-15)11-17-22(18,19)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyKAWFRAPCZXHZKM-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]methyl methanesulfonate
CID 86705334
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 110780305
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3684547
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide (CID 31827805) is N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide is COc1ccc(OC)c(CNS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is KAWFRAPCZXHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-15-8-9-16(21-2)14(10-15)11-17-22(18,19)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 31827805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).