methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

C12H10FNO4S2 — CID 2808149

IUPACmethyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO4S2/c1-18-12(15)11-10(6-7-19-11)14-20(16,17)9-4-2-8(13)3-5-9/h2-7,14H,1H3
InChIKeyXUXHTDUSPXYCAR-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.47
Rot. Bonds4

About methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 2808149) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID2808149
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Namemethyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO4S2/c1-18-12(15)11-10(6-7-19-11)14-20(16,17)9-4-2-8(13)3-5-9/h2-7,14H,1H3
InChIKeyXUXHTDUSPXYCAR-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-amino-4-(propylsulfonyl)thiophene-2-carboxylate
CID 2819500
Methyl 3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylate
CID 2778568
Methyl 3-(4-methoxybenzenesulfonamido)thiophene-2-carboxylate
CID 868244
3-Amino-4-(phenylsulfonyl)thiophene-2-carboxylic acid
CID 2778522
Methyl 3-(2,4-difluorophenylsulfonamido)thiophene-2-carboxylate
CID 2807719
Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate
CID 2778504
Methyl 3-amino-4-(tert-butylsulfonyl)thiophene-2-carboxylate
CID 2819475
Methyl 3-[(phenylsulfonyl)amino]thiophene-2-carboxylate
CID 4430392
Methyl 3-amino-4-(methylsulfonyl)thiophene-2-carboxylate
CID 2778572
Methyl 2-methyl-4-[(phenylsulfonyl)amino]thiophene-3-carboxylate
CID 2808348
Methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 4626673
Methyl 3-{[(2-nitrophenyl)sulfonyl]amino}thiophene-2-carboxylate
CID 5170432

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (CID 2808149) is methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is XUXHTDUSPXYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-18-12(15)11-10(6-7-19-11)14-20(16,17)9-4-2-8(13)3-5-9/h2-7,14H,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 2808149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).