2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid

C16H13ClN2O5S — CID 14822936

IUPAC2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2O5S/c17-11-5-7-12(8-6-11)25(23,24)19-9-15(20)18(10-16(21)22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,21,22)
InChIKeyNGHZVUSXBDSZED-UHFFFAOYSA-N
MW380.81 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid

2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid (PubChem CID 14822936) has the molecular formula C16H13ClN2O5S and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid
PubChem CID14822936
Molecular FormulaC16H13ClN2O5S
Molecular Weight380.81 g/mol
Exact Mass380.02
IUPAC Name2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2O5S/c17-11-5-7-12(8-6-11)25(23,24)19-9-15(20)18(10-16(21)22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,21,22)
InChIKeyNGHZVUSXBDSZED-UHFFFAOYSA-N
XLogP1.97
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)sulfonyl]benzoic acid
CID 110713476
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
4-[[4-(4-chlorophenyl)sulfonyl-2,3-dihydroquinoxalin-1-yl]sulfonyl]benzonitrile
CID 56646494
2-[6-benzyl-4-(4-chlorophenyl)sulfonyl-2,5-dioxo-1,4-diazepan-1-yl]-3,3-dimethylbutanoic acid
CID 66935369
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572
N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859667
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43910446
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
CID 110669678
N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579781
1-[4-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)sulfonylphenyl]-5-methylpyrazole-3-carboxylic acid
CID 12530695
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid (CID 14822936) is 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid is O=C(O)CN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid?
The InChIKey is NGHZVUSXBDSZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5S/c17-11-5-7-12(8-6-11)25(23,24)19-9-15(20)18(10-16(21)22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid?
2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid has a molecular weight of 380.81 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid is sourced from PubChem (CID 14822936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).