N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide

C14H21ClN2O2S — CID 66256676

IUPACN-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H21ClN2O2S/c1-11-5-4-7-13(15)14(11)17-20(18,19)10-8-12-6-2-3-9-16-12/h4-5,7,12,16-17H,2-3,6,8-10H2,1H3
InChIKeyHJPGIMMGHXPQAN-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.92
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide

N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 66256676) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID66256676
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H21ClN2O2S/c1-11-5-4-7-13(15)14(11)17-20(18,19)10-8-12-6-2-3-9-16-12/h4-5,7,12,16-17H,2-3,6,8-10H2,1H3
InChIKeyHJPGIMMGHXPQAN-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide (CID 66256676) is N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is HJPGIMMGHXPQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-11-5-4-7-13(15)14(11)17-20(18,19)10-8-12-6-2-3-9-16-12/h4-5,7,12,16-17H,2-3,6,8-10H2,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 66256676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).