methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate

C12H7Cl2F2NO4S2 — CID 31808270

IUPACmethyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F
InChIInChI=1S/C12H7Cl2F2NO4S2/c1-21-12(18)5-2-8(7(16)3-6(5)15)17-23(19,20)9-4-10(13)22-11(9)14/h2-4,17H,1H3
InChIKeyDKTGWBJRTDJEPY-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.92
Rot. Bonds4

About methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate

methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate (PubChem CID 31808270) has the molecular formula C12H7Cl2F2NO4S2 and a molecular weight of 402.23 g/mol. Its IUPAC name is methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
PubChem CID31808270
Molecular FormulaC12H7Cl2F2NO4S2
Molecular Weight402.23 g/mol
Exact Mass400.92
IUPAC Namemethyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F
InChIInChI=1S/C12H7Cl2F2NO4S2/c1-21-12(18)5-2-8(7(16)3-6(5)15)17-23(19,20)9-4-10(13)22-11(9)14/h2-4,17H,1H3
InChIKeyDKTGWBJRTDJEPY-UHFFFAOYSA-N
XLogP3.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate with MolForge

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Related Compounds

methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
methyl 5-(3-chloropropylsulfonylamino)-2,4-difluorobenzoate
CID 43654285
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
methyl 5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2,4-difluorobenzoate
CID 104921633
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 4794038

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate (CID 31808270) is methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate is COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F.
What is the InChIKey of methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate?
The InChIKey is DKTGWBJRTDJEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO4S2/c1-21-12(18)5-2-8(7(16)3-6(5)15)17-23(19,20)9-4-10(13)22-11(9)14/h2-4,17H,1H3.
What are the key properties of methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate?
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate has a molecular weight of 402.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate is sourced from PubChem (CID 31808270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).