phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate

C15H15FN2O4S — CID 86676129

IUPACphenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate
SMILESCS(=O)(=O)CCc1ncc(NC(=O)Oc2ccccc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-23(20,21)8-7-14-13(16)9-11(10-17-14)18-15(19)22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyHGKUHPZECHSPPR-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.42
Rot. Bonds5

About phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate

phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate (PubChem CID 86676129) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate
PubChem CID86676129
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Namephenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate
SMILESCS(=O)(=O)CCc1ncc(NC(=O)Oc2ccccc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-23(20,21)8-7-14-13(16)9-11(10-17-14)18-15(19)22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyHGKUHPZECHSPPR-UHFFFAOYSA-N
XLogP2.42
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate (CID 86676129) is phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate is CS(=O)(=O)CCc1ncc(NC(=O)Oc2ccccc2)cc1F.
What is the InChIKey of phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate?
The InChIKey is HGKUHPZECHSPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-23(20,21)8-7-14-13(16)9-11(10-17-14)18-15(19)22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate?
phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate has a molecular weight of 338.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 86676129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).