4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid

C17H14ClNO5S — CID 14476316

IUPAC4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(CCNS(=O)(=O)c3ccc(Cl)cc3)cccc2o1
InChIInChI=1S/C17H14ClNO5S/c18-12-4-6-13(7-5-12)25(22,23)19-9-8-11-2-1-3-15-14(11)10-16(24-15)17(20)21/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyASQKCKOVZDIMFL-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.31
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid (PubChem CID 14476316) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid
PubChem CID14476316
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(CCNS(=O)(=O)c3ccc(Cl)cc3)cccc2o1
InChIInChI=1S/C17H14ClNO5S/c18-12-4-6-13(7-5-12)25(22,23)19-9-8-11-2-1-3-15-14(11)10-16(24-15)17(20)21/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyASQKCKOVZDIMFL-UHFFFAOYSA-N
XLogP3.31
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-2-sulfinylacetic acid
CID 88510745
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 18504968
5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid
CID 139612650
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid (CID 14476316) is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(CCNS(=O)(=O)c3ccc(Cl)cc3)cccc2o1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is ASQKCKOVZDIMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c18-12-4-6-13(7-5-12)25(22,23)19-9-8-11-2-1-3-15-14(11)10-16(24-15)17(20)21/h1-7,10,19H,8-9H2,(H,20,21).
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid?
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 379.82 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 14476316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).