4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide

C18H23NO4S — CID 110445902

IUPAC4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2OC(C)(C)C)cc1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)23-17-8-6-5-7-14(17)13-19-24(20,21)16-11-9-15(22-4)10-12-16/h5-12,19H,13H2,1-4H3
InChIKeyZMUMVUMSSCVVRH-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.35
Rot. Bonds6

About 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide

4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide (PubChem CID 110445902) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
PubChem CID110445902
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2OC(C)(C)C)cc1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)23-17-8-6-5-7-14(17)13-19-24(20,21)16-11-9-15(22-4)10-12-16/h5-12,19H,13H2,1-4H3
InChIKeyZMUMVUMSSCVVRH-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757761

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide (CID 110445902) is 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2OC(C)(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
The InChIKey is ZMUMVUMSSCVVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-18(2,3)23-17-8-6-5-7-14(17)13-19-24(20,21)16-11-9-15(22-4)10-12-16/h5-12,19H,13H2,1-4H3.
What are the key properties of 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide?
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 110445902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).