phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate

C20H17NO4S — CID 71676330

IUPACphenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17NO4S/c1-15-10-12-19(13-11-15)26(23,24)21-17-7-5-6-16(14-17)20(22)25-18-8-3-2-4-9-18/h2-14,21H,1H3
InChIKeyMPPYFNRHQNEMPW-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.02
Rot. Bonds5

About phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate

phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 71676330) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namephenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID71676330
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Namephenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17NO4S/c1-15-10-12-19(13-11-15)26(23,24)21-17-7-5-6-16(14-17)20(22)25-18-8-3-2-4-9-18/h2-14,21H,1H3
InChIKeyMPPYFNRHQNEMPW-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'}

Analyze phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900

Frequently Asked Questions

What is the IUPAC name of phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate (CID 71676330) is phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccccc3)c2)cc1.
What is the InChIKey of phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is MPPYFNRHQNEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-15-10-12-19(13-11-15)26(23,24)21-17-7-5-6-16(14-17)20(22)25-18-8-3-2-4-9-18/h2-14,21H,1H3.
What are the key properties of phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate?
phenyl 3-[(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 3-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 71676330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).