methyl 4-[(4-methylphenyl)sulfonylamino]benzoate

C15H15NO4S — CID 792726

IUPACmethyl 4-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(18,19)16-13-7-5-12(6-8-13)15(17)20-2/h3-10,16H,1-2H3
InChIKeyMMJJVODPBHNFCY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.58
Rot. Bonds4

About methyl 4-[(4-methylphenyl)sulfonylamino]benzoate

methyl 4-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 792726) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 4-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID792726
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 4-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(18,19)16-13-7-5-12(6-8-13)15(17)20-2/h3-10,16H,1-2H3
InChIKeyMMJJVODPBHNFCY-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(4-methylphenyl)sulfonylamino]benzoate (CID 792726) is methyl 4-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is MMJJVODPBHNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(18,19)16-13-7-5-12(6-8-13)15(17)20-2/h3-10,16H,1-2H3.
What are the key properties of methyl 4-[(4-methylphenyl)sulfonylamino]benzoate?
methyl 4-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 792726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).