N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide

C14H22N2O4S2 — CID 2973563

IUPACN-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O4S2/c1-11-7-8-13(12(2)14(11)15-21(3,17)18)22(19,20)16-9-5-4-6-10-16/h7-8,15H,4-6,9-10H2,1-3H3
InChIKeyJKFGZYHQBWPQOH-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.85
Rot. Bonds4

About N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide

N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 2973563) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID2973563
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O4S2/c1-11-7-8-13(12(2)14(11)15-21(3,17)18)22(19,20)16-9-5-4-6-10-16/h7-8,15H,4-6,9-10H2,1-3H3
InChIKeyJKFGZYHQBWPQOH-UHFFFAOYSA-N
XLogP1.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide (CID 2973563) is N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide is Cc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is JKFGZYHQBWPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-11-7-8-13(12(2)14(11)15-21(3,17)18)22(19,20)16-9-5-4-6-10-16/h7-8,15H,4-6,9-10H2,1-3H3.
What are the key properties of N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 2973563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).