ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate

C15H13ClFNO4S — CID 38011078

IUPACethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO4S/c1-2-22-15(19)13-8-5-11(9-14(13)16)18-23(20,21)12-6-3-10(17)4-7-12/h3-9,18H,2H2,1H3
InChIKeyZVJWFLSZGNVAPQ-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.46
Rot. Bonds5

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

ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 38011078) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID38011078
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Nameethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO4S/c1-2-22-15(19)13-8-5-11(9-14(13)16)18-23(20,21)12-6-3-10(17)4-7-12/h3-9,18H,2H2,1H3
InChIKeyZVJWFLSZGNVAPQ-UHFFFAOYSA-N
XLogP3.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
ethyl 2-chloro-4-[[3-(2,5-dioxopyrrolidin-1-yl)-4-methoxyphenyl]sulfonylamino]benzoate
CID 100672822
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
ethyl 2-chloro-4-[3-(4-fluorophenyl)-2-oxopropyl]benzoate
CID 147606579
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate (CID 38011078) is ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is ZVJWFLSZGNVAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-2-22-15(19)13-8-5-11(9-14(13)16)18-23(20,21)12-6-3-10(17)4-7-12/h3-9,18H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate?
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 357.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 38011078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).