N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide

C15H23ClN2O2S — CID 105060270

IUPACN-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)(CCl)c2ccccc2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-13-8-10-18(11-9-13)21(19,20)17-15(2,12-16)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyPDFPPANFFGUVEH-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.71
Rot. Bonds5

About N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide

N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide (PubChem CID 105060270) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
PubChem CID105060270
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)(CCl)c2ccccc2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-13-8-10-18(11-9-13)21(19,20)17-15(2,12-16)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyPDFPPANFFGUVEH-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.71
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-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
CID 105060342
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
CID 107868435
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 105060261
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 65266306
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62488191
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide (CID 105060270) is N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(C)(CCl)c2ccccc2)CC1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is PDFPPANFFGUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-13-8-10-18(11-9-13)21(19,20)17-15(2,12-16)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide?
N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 105060270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).