[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone

C19H20ClNO3S — CID 110394038

IUPAC[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClNO3S/c20-18-9-5-4-8-17(18)14-25(23,24)21-12-10-16(11-13-21)19(22)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyLSODJRPRNZVOHI-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.76
Rot. Bonds5

About [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone

[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 110394038) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
PubChem CID110394038
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClNO3S/c20-18-9-5-4-8-17(18)14-25(23,24)21-12-10-16(11-13-21)19(22)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyLSODJRPRNZVOHI-UHFFFAOYSA-N
XLogP3.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283589
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone (CID 110394038) is [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is LSODJRPRNZVOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c20-18-9-5-4-8-17(18)14-25(23,24)21-12-10-16(11-13-21)19(22)15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 377.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 110394038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).