N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide

C12H16ClFN2O4S2 — CID 24678925

IUPACN-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2O4S2/c1-21(17,18)15-10-4-6-16(7-5-10)22(19,20)12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyHHWOACMGWQPUQF-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.18
Rot. Bonds4

About N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide

N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide (PubChem CID 24678925) has the molecular formula C12H16ClFN2O4S2 and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide
PubChem CID24678925
Molecular FormulaC12H16ClFN2O4S2
Molecular Weight370.86 g/mol
Exact Mass370.02
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2O4S2/c1-21(17,18)15-10-4-6-16(7-5-10)22(19,20)12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyHHWOACMGWQPUQF-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide (CID 24678925) is N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The InChIKey is HHWOACMGWQPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S2/c1-21(17,18)15-10-4-6-16(7-5-10)22(19,20)12-3-2-9(13)8-11(12)14/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide has a molecular weight of 370.86 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 24678925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).