N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide

C13H18ClFN2O2S — CID 62532601

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2S/c14-12-7-10(4-5-13(12)15)8-17-20(18,19)9-11-3-1-2-6-16-11/h4-5,7,11,16-17H,1-3,6,8-9H2
InChIKeyYEAJBHOKJCVLGV-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.04
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide (PubChem CID 62532601) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide
PubChem CID62532601
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2S/c14-12-7-10(4-5-13(12)15)8-17-20(18,19)9-11-3-1-2-6-16-11/h4-5,7,11,16-17H,1-3,6,8-9H2
InChIKeyYEAJBHOKJCVLGV-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide (CID 62532601) is N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is YEAJBHOKJCVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-12-7-10(4-5-13(12)15)8-17-20(18,19)9-11-3-1-2-6-16-11/h4-5,7,11,16-17H,1-3,6,8-9H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 62532601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).