phenyl 4-(dimethylsulfamoyl)benzoate

C15H15NO4S — CID 1262705

IUPACphenyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyBZNPZORSSGQUPW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.16
Rot. Bonds4

About phenyl 4-(dimethylsulfamoyl)benzoate

phenyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 1262705) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is phenyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Namephenyl 4-(dimethylsulfamoyl)benzoate
PubChem CID1262705
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namephenyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyBZNPZORSSGQUPW-UHFFFAOYSA-N
XLogP2.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 25116315
CID 23675113
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CID 9104401
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CID 24980242
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CID 1310291
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CID 2394821
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CID 2550787
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CID 4796683
CID 4796683

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of phenyl 4-(dimethylsulfamoyl)benzoate (CID 1262705) is phenyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for phenyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for phenyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is BZNPZORSSGQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(2)21(18,19)14-10-8-12(9-11-14)15(17)20-13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of phenyl 4-(dimethylsulfamoyl)benzoate?
phenyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 1262705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).