N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide

C14H21ClN2O2S — CID 65030816

IUPACN-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(CCl)c2ccccc2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyZUSYOVWYRZKHGR-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.53
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide

N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 65030816) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
PubChem CID65030816
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(CCl)c2ccccc2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyZUSYOVWYRZKHGR-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
CID 122069433
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
CID 65030819
N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
CID 107863412
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
CID 39978067
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide (CID 65030816) is N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(CCl)c2ccccc2)CC1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is ZUSYOVWYRZKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-12-7-9-17(10-8-12)20(18,19)16-14(11-15)13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3.
What are the key properties of N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide?
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 65030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).