phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate

C20H17NO4S — CID 154135516

IUPACphenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-15-11-13-17(14-12-15)26(23,24)21-19-10-6-5-9-18(19)20(22)25-16-7-3-2-4-8-16/h2-14,21H,1H3
InChIKeyITKODKFSKZJVDO-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.02
Rot. Bonds5

About phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate

phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 154135516) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namephenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID154135516
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Namephenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-15-11-13-17(14-12-15)26(23,24)21-19-10-6-5-9-18(19)20(22)25-16-7-3-2-4-8-16/h2-14,21H,1H3
InChIKeyITKODKFSKZJVDO-UHFFFAOYSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-(benzenesulfonamido)-2-chlorobenzoate
CID 67598527
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate (CID 154135516) is phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is ITKODKFSKZJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-15-11-13-17(14-12-15)26(23,24)21-19-10-6-5-9-18(19)20(22)25-16-7-3-2-4-8-16/h2-14,21H,1H3.
What are the key properties of phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate?
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 367.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 154135516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).