ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate

C16H16ClNO4S — CID 139957908

IUPACethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16ClNO4S/c1-3-22-16(19)14-10-12(17)6-9-15(14)18-23(20,21)13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3
InChIKeyUVHQAHWSHROWEV-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.63
Rot. Bonds5

About ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate

ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 139957908) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID139957908
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Nameethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16ClNO4S/c1-3-22-16(19)14-10-12(17)6-9-15(14)18-23(20,21)13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3
InChIKeyUVHQAHWSHROWEV-UHFFFAOYSA-N
XLogP3.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-chloro-2-[(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

ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
CID 59788614
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate (CID 139957908) is ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate is CCOC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is UVHQAHWSHROWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-3-22-16(19)14-10-12(17)6-9-15(14)18-23(20,21)13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 353.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 139957908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).