N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

C13H20N2O4S2 — CID 17484951

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O4S2/c1-11-3-5-13(6-4-11)21(18,19)15-9-7-12(8-10-15)14-20(2,16)17/h3-6,12,14H,7-10H2,1-2H3
InChIKeyFAEHFBFKPFWNEW-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.70
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (PubChem CID 17484951) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
PubChem CID17484951
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O4S2/c1-11-3-5-13(6-4-11)21(18,19)15-9-7-12(8-10-15)14-20(2,16)17/h3-6,12,14H,7-10H2,1-2H3
InChIKeyFAEHFBFKPFWNEW-UHFFFAOYSA-N
XLogP0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678943
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (CID 17484951) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is Cc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The InChIKey is FAEHFBFKPFWNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-11-3-5-13(6-4-11)21(18,19)15-9-7-12(8-10-15)14-20(2,16)17/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 17484951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).