ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate

C19H15Cl2NO4S2 — CID 146601260

IUPACethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2NO4S2/c1-2-26-19(23)16-11-17(12-6-4-3-5-7-12)27-18(16)22-28(24,25)15-9-13(20)8-14(21)10-15/h3-11,22H,2H2,1H3
InChIKeyVZDHEMCXTGZLMG-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.70
Rot. Bonds6

About ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate

ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate (PubChem CID 146601260) has the molecular formula C19H15Cl2NO4S2 and a molecular weight of 456.37 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate
PubChem CID146601260
Molecular FormulaC19H15Cl2NO4S2
Molecular Weight456.37 g/mol
Exact Mass454.98
IUPAC Nameethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2NO4S2/c1-2-26-19(23)16-11-17(12-6-4-3-5-7-12)27-18(16)22-28(24,25)15-9-13(20)8-14(21)10-15/h3-11,22H,2H2,1H3
InChIKeyVZDHEMCXTGZLMG-UHFFFAOYSA-N
XLogP5.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(naphthalen-2-ylsulfonylamino)-5-phenylthiophene-3-carboxylate
CID 19203351
ethyl 2-[[(2S)-2-chloropropanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 2386073
ethyl 2-(butanoylamino)-5-phenylthiophene-3-carboxylate
CID 949199
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
CID 733295
ethyl 2-[[(2S)-2-chloro-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 2386119
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxylate
CID 28692926
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 92759942
ethyl 2-[(5-methoxy-5-oxopentanoyl)amino]-5-phenylthiophene-3-carboxylate
CID 46094676
ethyl 2-[(4,5-dimethylthiophene-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate
CID 84560163
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333
[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-(methanesulfonamido)pyridine-2-carboxylate
CID 171651861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate (CID 146601260) is ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate?
The InChIKey is VZDHEMCXTGZLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S2/c1-2-26-19(23)16-11-17(12-6-4-3-5-7-12)27-18(16)22-28(24,25)15-9-13(20)8-14(21)10-15/h3-11,22H,2H2,1H3.
What are the key properties of ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate?
ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate has a molecular weight of 456.37 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 146601260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).