[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate

C16H17NO5S — CID 57422344

IUPAC[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C16H17NO5S/c1-12(18)22-14-7-9-15(10-8-14)23(19,20)17-11-13-5-3-4-6-16(13)21-2/h3-10,17H,11H2,1-2H3
InChIKeyJQVOVCSCBZHVSL-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.10
Rot. Bonds6

About [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate

[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate (PubChem CID 57422344) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
PubChem CID57422344
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C16H17NO5S/c1-12(18)22-14-7-9-15(10-8-14)23(19,20)17-11-13-5-3-4-6-16(13)21-2/h3-10,17H,11H2,1-2H3
InChIKeyJQVOVCSCBZHVSL-UHFFFAOYSA-N
XLogP2.10
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl] acetate
CID 177425846
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate?
The IUPAC name of [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate (CID 57422344) is [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate?
The canonical SMILES for [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate is COc1ccccc1CNS(=O)(=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate?
The InChIKey is JQVOVCSCBZHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-12(18)22-14-7-9-15(10-8-14)23(19,20)17-11-13-5-3-4-6-16(13)21-2/h3-10,17H,11H2,1-2H3.
What are the key properties of [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate?
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate has a molecular weight of 335.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate is sourced from PubChem (CID 57422344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).