ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

C17H17FN2O5S — CID 19928247

IUPACethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN2O5S/c1-2-25-17(22)15-8-5-13(11-19-15)16(21)20-26(23,24)10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyNTYGJFXKWDXOKI-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.70
Rot. Bonds7

About ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928247) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928247
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Nameethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN2O5S/c1-2-25-17(22)15-8-5-13(11-19-15)16(21)20-26(23,24)10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyNTYGJFXKWDXOKI-UHFFFAOYSA-N
XLogP1.70
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928468
propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782956
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
ethyl [5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749474
methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928091
ethyl [5-(4-phenylbutylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749458
ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
CID 158862567
5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 139669290
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928247) is ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1.
What is the InChIKey of ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is NTYGJFXKWDXOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-2-25-17(22)15-8-5-13(11-19-15)16(21)20-26(23,24)10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,21).
What are the key properties of ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).