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

C13H19ClN2O4S2 — CID 51339666

IUPACN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S2/c1-10-3-4-13(12(14)9-10)22(19,20)16-7-5-11(6-8-16)15-21(2,17)18/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyGZGMVPNBMSTYOG-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.35
Rot. Bonds4

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

N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (PubChem CID 51339666) has the molecular formula C13H19ClN2O4S2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
PubChem CID51339666
Molecular FormulaC13H19ClN2O4S2
Molecular Weight366.89 g/mol
Exact Mass366.05
IUPAC NameN-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S2/c1-10-3-4-13(12(14)9-10)22(19,20)16-7-5-11(6-8-16)15-21(2,17)18/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyGZGMVPNBMSTYOG-UHFFFAOYSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 32681639
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (CID 51339666) is N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is Cc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)c(Cl)c1.
What is the InChIKey of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The InChIKey is GZGMVPNBMSTYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S2/c1-10-3-4-13(12(14)9-10)22(19,20)16-7-5-11(6-8-16)15-21(2,17)18/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide has a molecular weight of 366.89 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 51339666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).