2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid

C15H13ClFNO4S — CID 23647774

IUPAC2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1Cl
InChIInChI=1S/C15H13ClFNO4S/c1-2-9-3-8-12(13(14(9)16)15(19)20)18-23(21,22)11-6-4-10(17)5-7-11/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyBVUIAHCNMNDNRH-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.54
Rot. Bonds5

About 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid

2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (PubChem CID 23647774) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
PubChem CID23647774
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1Cl
InChIInChI=1S/C15H13ClFNO4S/c1-2-9-3-8-12(13(14(9)16)15(19)20)18-23(21,22)11-6-4-10(17)5-7-11/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyBVUIAHCNMNDNRH-UHFFFAOYSA-N
XLogP3.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (CID 23647774) is 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1Cl.
What is the InChIKey of 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The InChIKey is BVUIAHCNMNDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-2-9-3-8-12(13(14(9)16)15(19)20)18-23(21,22)11-6-4-10(17)5-7-11/h3-8,18H,2H2,1H3,(H,19,20).
What are the key properties of 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid has a molecular weight of 357.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 23647774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).