N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide

C17H21NO4S — CID 71200548

IUPACN,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO4S/c1-21-16-8-4-14(5-9-16)12-18(23(3,19)20)13-15-6-10-17(22-2)11-7-15/h4-11H,12-13H2,1-3H3
InChIKeyXPVYWKCJBKSIKA-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds7

About N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide

N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 71200548) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID71200548
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO4S/c1-21-16-8-4-14(5-9-16)12-18(23(3,19)20)13-15-6-10-17(22-2)11-7-15/h4-11H,12-13H2,1-3H3
InChIKeyXPVYWKCJBKSIKA-UHFFFAOYSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 125498806
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 83084527
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide (CID 71200548) is N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is XPVYWKCJBKSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-21-16-8-4-14(5-9-16)12-18(23(3,19)20)13-15-6-10-17(22-2)11-7-15/h4-11H,12-13H2,1-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 71200548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).