ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate

C13H12FNO4S2 — CID 61053183

IUPACethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO4S2/c1-2-19-13(16)9-7-8-20-12(9)15-21(17,18)11-6-4-3-5-10(11)14/h3-8,15H,2H2,1H3
InChIKeyCNNYGNMVCQSCPO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.86
Rot. Bonds5

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

ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 61053183) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate
PubChem CID61053183
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Nameethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO4S2/c1-2-19-13(16)9-7-8-20-12(9)15-21(17,18)11-6-4-3-5-10(11)14/h3-8,15H,2H2,1H3
InChIKeyCNNYGNMVCQSCPO-UHFFFAOYSA-N
XLogP2.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(phenylsulfonyl)amino]-3-thiophenecarboxylate
CID 1477337
Methyl 2-methyl-4-[(phenylsulfonyl)amino]thiophene-3-carboxylate
CID 2808348
Methyl 2-(3-(phenylsulfonyl)propanamido)thiophene-3-carboxylate
CID 7202658
Ethyl 2-(3-(phenylsulfonyl)propanamido)thiophene-3-carboxylate
CID 7202660
Methyl 2-(2-(phenylsulfonyl)acetamido)thiophene-3-carboxylate
CID 7254454
Ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 7254832
2-[(4-Methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
Methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate
CID 71654904
Methyl 4-ethyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylate
CID 71654905
Ethyl 2-(methanesulfonamido)-5-phenylthiophene-3-carboxylate
CID 134141428
Methyl 2-[(4-bromo-2,5-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
CID 172433504
Methyl 2-[(4-bromophenyl)sulfonylamino]thiophene-3-carboxylate
CID 172433976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate (CID 61053183) is ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is CNNYGNMVCQSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-2-19-13(16)9-7-8-20-12(9)15-21(17,18)11-6-4-3-5-10(11)14/h3-8,15H,2H2,1H3.
What are the key properties of ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate?
ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 61053183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).