methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate

C16H11Cl3N2O6S4 — CID 67970194

IUPACmethyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H11Cl3N2O6S4/c1-27-16(22)15-12(7-13(19)29-15)30(23,24)20-10-5-8(17)9(18)6-11(10)21-31(25,26)14-3-2-4-28-14/h2-7,20-21H,1H3
InChIKeyIELURXBVPVROLV-UHFFFAOYSA-N
MW561.90 g/mol
LogP5.16
Rot. Bonds7

About methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate

methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 67970194) has the molecular formula C16H11Cl3N2O6S4 and a molecular weight of 561.90 g/mol. Its IUPAC name is methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID67970194
Molecular FormulaC16H11Cl3N2O6S4
Molecular Weight561.90 g/mol
Exact Mass559.86
IUPAC Namemethyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H11Cl3N2O6S4/c1-27-16(22)15-12(7-13(19)29-15)30(23,24)20-10-5-8(17)9(18)6-11(10)21-31(25,26)14-3-2-4-28-14/h2-7,20-21H,1H3
InChIKeyIELURXBVPVROLV-UHFFFAOYSA-N
XLogP5.16
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.90
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101197
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 28748643
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 8842276
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
CID 118090945
methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 51049222

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate (CID 67970194) is methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is IELURXBVPVROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O6S4/c1-27-16(22)15-12(7-13(19)29-15)30(23,24)20-10-5-8(17)9(18)6-11(10)21-31(25,26)14-3-2-4-28-14/h2-7,20-21H,1H3.
What are the key properties of methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 561.90 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 67970194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).