ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate

C17H18ClNO4S — CID 12945833

IUPACethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
SMILESCCOC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17(20)14-5-3-13(4-6-14)11-12-19-24(21,22)16-9-7-15(18)8-10-16/h3-10,19H,2,11-12H2,1H3
InChIKeySNCPJOAPRHIDNC-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.04
Rot. Bonds7

About ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate

ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate (PubChem CID 12945833) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
PubChem CID12945833
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
SMILESCCOC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17(20)14-5-3-13(4-6-14)11-12-19-24(21,22)16-9-7-15(18)8-10-16/h3-10,19H,2,11-12H2,1H3
InChIKeySNCPJOAPRHIDNC-UHFFFAOYSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
CID 14476307
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
CID 42328299

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate?
The IUPAC name of ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate (CID 12945833) is ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate?
The canonical SMILES for ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate is CCOC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate?
The InChIKey is SNCPJOAPRHIDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-2-23-17(20)14-5-3-13(4-6-14)11-12-19-24(21,22)16-9-7-15(18)8-10-16/h3-10,19H,2,11-12H2,1H3.
What are the key properties of ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate?
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate has a molecular weight of 367.85 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate is sourced from PubChem (CID 12945833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).