methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate

C15H12Cl2N2O5S2 — CID 122402654

IUPACmethyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2ccc(Cl)cc2NC(=O)C1C
InChIInChI=1S/C15H12Cl2N2O5S2/c1-7-14(20)18-9-5-8(16)3-4-10(9)19(7)26(22,23)11-6-12(17)25-13(11)15(21)24-2/h3-7H,1-2H3,(H,18,20)
InChIKeyTYZRPEPDDNHJNR-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.38
Rot. Bonds3

About methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate

methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate (PubChem CID 122402654) has the molecular formula C15H12Cl2N2O5S2 and a molecular weight of 435.31 g/mol. Its IUPAC name is methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate
PubChem CID122402654
Molecular FormulaC15H12Cl2N2O5S2
Molecular Weight435.31 g/mol
Exact Mass433.96
IUPAC Namemethyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2ccc(Cl)cc2NC(=O)C1C
InChIInChI=1S/C15H12Cl2N2O5S2/c1-7-14(20)18-9-5-8(16)3-4-10(9)19(7)26(22,23)11-6-12(17)25-13(11)15(21)24-2/h3-7H,1-2H3,(H,18,20)
InChIKeyTYZRPEPDDNHJNR-UHFFFAOYSA-N
XLogP3.38
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 28664454
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619
methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 28748643
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 51049222
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730378
methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-chlorothiophene-2-carboxylate
CID 51052816
(5-chloro-2-methoxycarbonylthiophen-3-yl)boronic acid
CID 154881571
methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate
CID 123713610
(3R)-7-chloro-4-hydroxy-3,5-dimethyl-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59914970
methyl 4-[[[2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]methyl]benzoate
CID 22065077
methyl 5-chloro-2-methylsulfonylbenzoate
CID 66877882

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate (CID 122402654) is methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2ccc(Cl)cc2NC(=O)C1C.
What is the InChIKey of methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate?
The InChIKey is TYZRPEPDDNHJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O5S2/c1-7-14(20)18-9-5-8(16)3-4-10(9)19(7)26(22,23)11-6-12(17)25-13(11)15(21)24-2/h3-7H,1-2H3,(H,18,20).
What are the key properties of methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate?
methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate has a molecular weight of 435.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate is sourced from PubChem (CID 122402654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).