N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide

C21H21NO4S — CID 2489691

IUPACN-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-4-3-5-10-21)18-11-13-19(14-12-18)26-16-17-7-6-8-20(15-17)25-2/h3-15H,16H2,1-2H3
InChIKeyLLQGPKJQLXPPEA-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.10
Rot. Bonds7

About N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide

N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide (PubChem CID 2489691) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
PubChem CID2489691
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-4-3-5-10-21)18-11-13-19(14-12-18)26-16-17-7-6-8-20(15-17)25-2/h3-15H,16H2,1-2H3
InChIKeyLLQGPKJQLXPPEA-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
3-methoxycarbonyl-5-[methyl-(4-phenylmethoxyphenyl)sulfonylamino]benzoic acid
CID 58880278
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide (CID 2489691) is N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide is COc1cccc(COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is LLQGPKJQLXPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-4-3-5-10-21)18-11-13-19(14-12-18)26-16-17-7-6-8-20(15-17)25-2/h3-15H,16H2,1-2H3.
What are the key properties of N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide?
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2489691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).