methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate

C10H7Cl2NO4S3 — CID 17442532

IUPACmethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO4S3/c1-17-10(14)8-5(2-3-18-8)13-20(15,16)6-4-7(11)19-9(6)12/h2-4,13H,1H3
InChIKeyJMLJGUQLJDPPSU-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.70
Rot. Bonds4

About methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 17442532) has the molecular formula C10H7Cl2NO4S3 and a molecular weight of 372.28 g/mol. Its IUPAC name is methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID17442532
Molecular FormulaC10H7Cl2NO4S3
Molecular Weight372.28 g/mol
Exact Mass370.89
IUPAC Namemethyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO4S3/c1-17-10(14)8-5(2-3-18-8)13-20(15,16)6-4-7(11)19-9(6)12/h2-4,13H,1H3
InChIKeyJMLJGUQLJDPPSU-UHFFFAOYSA-N
XLogP3.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 43255563
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
CID 31808270
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 59180382
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate (CID 17442532) is methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is JMLJGUQLJDPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO4S3/c1-17-10(14)8-5(2-3-18-8)13-20(15,16)6-4-7(11)19-9(6)12/h2-4,13H,1H3.
What are the key properties of methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 372.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 17442532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).