N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide

C13H16ClFN2O3S — CID 51079131

IUPACN-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H16ClFN2O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyVNMHWWBQCUGQMU-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 51079131) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID51079131
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC NameN-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H16ClFN2O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyVNMHWWBQCUGQMU-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide (CID 51079131) is N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is VNMHWWBQCUGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 334.80 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 51079131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).