(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate

C16H17NO5S — CID 2394821

IUPAC(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate
SMILESCOc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H17NO5S/c1-17(2)23(19,20)13-10-8-12(9-11-13)16(18)22-15-7-5-4-6-14(15)21-3/h4-11H,1-3H3
InChIKeyYKDMJPACCVKIBS-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.16
Rot. Bonds5

About (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate

(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate (PubChem CID 2394821) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate
PubChem CID2394821
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate
SMILESCOc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H17NO5S/c1-17(2)23(19,20)13-10-8-12(9-11-13)16(18)22-15-7-5-4-6-14(15)21-3/h4-11H,1-3H3
InChIKeyYKDMJPACCVKIBS-UHFFFAOYSA-N
XLogP2.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phenyl 4-[(dimethylamino)sulfonyl]benzoate
CID 1262705
4-Methyl-3-(morpholine-4-sulfonyl)-benzoic acid 2-methoxy-phenyl ester
CID 1315417
2-Phenoxyethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2640663
1,3-Benzodioxol-5-yl 4-(diethylsulfamoyl)benzoate
CID 2669371
2-(4-Fluorophenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4796313
2-Methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-enyl)phenyl-4-sulfamoylbenzoate
CID 24816432
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 24978776
(2,3-Dimethoxyphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 24980312
4-(Nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylphenyl)propanoyloxy)phenyl)acrylate
CID 54584667
2-Methoxy-5-{2-[(4-methylphenyl)sulfonyl]carbohydrazonoyl}phenyl benzoate
CID 6872715
(3,4-Dimethoxyphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 9097064
(2-Methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 1079067

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate (CID 2394821) is (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate is COc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate?
The InChIKey is YKDMJPACCVKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-17(2)23(19,20)13-10-8-12(9-11-13)16(18)22-15-7-5-4-6-14(15)21-3/h4-11H,1-3H3.
What are the key properties of (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate?
(2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2394821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).