2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid

C19H17ClN2O5S — CID 139612650

IUPAC2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid
SMILESO=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(=O)[nH]c12
InChIInChI=1S/C19H17ClN2O5S/c20-14-3-5-15(6-4-14)28(26,27)21-10-9-12-1-2-13(11-18(24)25)19-16(12)7-8-17(23)22-19/h1-8,21H,9-11H2,(H,22,23)(H,24,25)
InChIKeyAZUUOIXRJBUKST-UHFFFAOYSA-N
MW420.87 g/mol
LogP2.33
Rot. Bonds7

About 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid

2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid (PubChem CID 139612650) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid
PubChem CID139612650
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid
SMILESO=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(=O)[nH]c12
InChIInChI=1S/C19H17ClN2O5S/c20-14-3-5-15(6-4-14)28(26,27)21-10-9-12-1-2-13(11-18(24)25)19-16(12)7-8-17(23)22-19/h1-8,21H,9-11H2,(H,22,23)(H,24,25)
InChIKeyAZUUOIXRJBUKST-UHFFFAOYSA-N
XLogP2.33
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid
CID 14476316
4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 22430774
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid
CID 14536989
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid?
The IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid (CID 139612650) is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid is O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(=O)[nH]c12.
What is the InChIKey of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid?
The InChIKey is AZUUOIXRJBUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c20-14-3-5-15(6-4-14)28(26,27)21-10-9-12-1-2-13(11-18(24)25)19-16(12)7-8-17(23)22-19/h1-8,21H,9-11H2,(H,22,23)(H,24,25).
What are the key properties of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid?
2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid has a molecular weight of 420.87 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-oxo-1H-quinolin-8-yl]acetic acid is sourced from PubChem (CID 139612650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).