ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C15H21FN2O4S — CID 39622543

IUPACethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-22-15(19)18-8-6-13(7-9-18)17-23(20,21)14-10-12(16)5-4-11(14)2/h4-5,10,13,17H,3,6-9H2,1-2H3
InChIKeyVQLPBXHFTNRHPX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.03
Rot. Bonds4

About ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 39622543) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID39622543
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Nameethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-22-15(19)18-8-6-13(7-9-18)17-23(20,21)14-10-12(16)5-4-11(14)2/h4-5,10,13,17H,3,6-9H2,1-2H3
InChIKeyVQLPBXHFTNRHPX-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 39622543) is ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2C)CC1.
What is the InChIKey of ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is VQLPBXHFTNRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-3-22-15(19)18-8-6-13(7-9-18)17-23(20,21)14-10-12(16)5-4-11(14)2/h4-5,10,13,17H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 39622543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).