methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

C12H11FN2O4S2 — CID 43255563

IUPACmethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H11FN2O4S2/c1-19-12(16)11-9(4-5-20-11)15-21(17,18)10-6-7(14)2-3-8(10)13/h2-6,15H,14H2,1H3
InChIKeyBJKZTEUHCNGBHA-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.06
Rot. Bonds4

About methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 43255563) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID43255563
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Namemethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H11FN2O4S2/c1-19-12(16)11-9(4-5-20-11)15-21(17,18)10-6-7(14)2-3-8(10)13/h2-6,15H,14H2,1H3
InChIKeyBJKZTEUHCNGBHA-UHFFFAOYSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 59180382
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-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (CID 43255563) is methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is BJKZTEUHCNGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-19-12(16)11-9(4-5-20-11)15-21(17,18)10-6-7(14)2-3-8(10)13/h2-6,15H,14H2,1H3.
What are the key properties of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 43255563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).