methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate

C13H12FNO5S2 — CID 122135831

IUPACmethyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C13H12FNO5S2/c1-19-10-4-3-8(7-9(10)14)22(17,18)15-12-6-5-11(21-12)13(16)20-2/h3-7,15H,1-2H3
InChIKeyHBXPDKVZRUSWMG-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.48
Rot. Bonds5

About methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate

methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 122135831) has the molecular formula C13H12FNO5S2 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID122135831
Molecular FormulaC13H12FNO5S2
Molecular Weight345.37 g/mol
Exact Mass345.01
IUPAC Namemethyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C13H12FNO5S2/c1-19-10-4-3-8(7-9(10)14)22(17,18)15-12-6-5-11(21-12)13(16)20-2/h3-7,15H,1-2H3
InChIKeyHBXPDKVZRUSWMG-UHFFFAOYSA-N
XLogP2.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43475054
3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 19109341

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate (CID 122135831) is methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1.
What is the InChIKey of methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is HBXPDKVZRUSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5S2/c1-19-10-4-3-8(7-9(10)14)22(17,18)15-12-6-5-11(21-12)13(16)20-2/h3-7,15H,1-2H3.
What are the key properties of methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 122135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).