[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

C14H12ClNO6S2 — CID 24531102

IUPAC[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C14H12ClNO6S2/c1-21-12-3-2-8(4-10(12)15)11(17)6-22-14(18)9-5-13(23-7-9)24(16,19)20/h2-5,7H,6H2,1H3,(H2,16,19,20)
InChIKeyTYIFYJMOQCMHRQ-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.10
Rot. Bonds6

About [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 24531102) has the molecular formula C14H12ClNO6S2 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID24531102
Molecular FormulaC14H12ClNO6S2
Molecular Weight389.84 g/mol
Exact Mass388.98
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C14H12ClNO6S2/c1-21-12-3-2-8(4-10(12)15)11(17)6-22-14(18)9-5-13(23-7-9)24(16,19)20/h2-5,7H,6H2,1H3,(H2,16,19,20)
InChIKeyTYIFYJMOQCMHRQ-UHFFFAOYSA-N
XLogP2.10
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7626583
2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
CID 30589125
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8544059
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7486965
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531127
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508520
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531126
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 32829104
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7489450

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (CID 24531102) is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is COc1ccc(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is TYIFYJMOQCMHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO6S2/c1-21-12-3-2-8(4-10(12)15)11(17)6-22-14(18)9-5-13(23-7-9)24(16,19)20/h2-5,7H,6H2,1H3,(H2,16,19,20).
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 389.84 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 24531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).