propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate

C16H15Cl2NO4S — CID 2842703

IUPACpropyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-2-9-23-16(20)11-3-6-13(7-4-11)19-24(21,22)15-10-12(17)5-8-14(15)18/h3-8,10,19H,2,9H2,1H3
InChIKeyBAFAFEXUXJVYDM-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.36
Rot. Bonds6

About propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate

propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate (PubChem CID 2842703) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
PubChem CID2842703
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Namepropyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-2-9-23-16(20)11-3-6-13(7-4-11)19-24(21,22)15-10-12(17)5-8-14(15)18/h3-8,10,19H,2,9H2,1H3
InChIKeyBAFAFEXUXJVYDM-UHFFFAOYSA-N
XLogP4.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 22774734
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
CID 43624126
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2887999

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The IUPAC name of propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate (CID 2842703) is propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The InChIKey is BAFAFEXUXJVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-2-9-23-16(20)11-3-6-13(7-4-11)19-24(21,22)15-10-12(17)5-8-14(15)18/h3-8,10,19H,2,9H2,1H3.
What are the key properties of propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate has a molecular weight of 388.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2842703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).