N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide

C14H21ClN2O2S — CID 62532081

IUPACN-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h3-5,10,14,16-17H,1-2,6-9,11H2
InChIKeyCQWKLJPJWWCNMZ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.29
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide

N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 62532081) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
PubChem CID62532081
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h3-5,10,14,16-17H,1-2,6-9,11H2
InChIKeyCQWKLJPJWWCNMZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
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CID 115071344
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide (CID 62532081) is N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide is O=S(=O)(CCC1CCCCN1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is CQWKLJPJWWCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h3-5,10,14,16-17H,1-2,6-9,11H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide?
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 62532081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).