1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide

C15H22ClFN2O2S — CID 97023569

IUPAC1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide
SMILESC[C@H]1CCCN(CCNS(=O)(=O)Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H22ClFN2O2S/c1-12-3-2-7-19(10-12)8-6-18-22(20,21)11-13-9-14(16)4-5-15(13)17/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3/t12-/m0/s1
InChIKeyHFRHJKDFRHCWDA-LBPRGKRZSA-N
MW348.87 g/mol
LogP2.63
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 97023569) has the molecular formula C15H22ClFN2O2S and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide
PubChem CID97023569
Molecular FormulaC15H22ClFN2O2S
Molecular Weight348.87 g/mol
Exact Mass348.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide
SMILESC[C@H]1CCCN(CCNS(=O)(=O)Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H22ClFN2O2S/c1-12-3-2-7-19(10-12)8-6-18-22(20,21)11-13-9-14(16)4-5-15(13)17/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3/t12-/m0/s1
InChIKeyHFRHJKDFRHCWDA-LBPRGKRZSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide (CID 97023569) is 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide is C[C@H]1CCCN(CCNS(=O)(=O)Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is HFRHJKDFRHCWDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClFN2O2S/c1-12-3-2-7-19(10-12)8-6-18-22(20,21)11-13-9-14(16)4-5-15(13)17/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 348.87 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97023569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).