1-naphthalen-2-ylsulfonyl-4-phenylpiperidine

C21H21NO2S — CID 4729267

IUPAC1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H21NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-11,16,19H,12-15H2
InChIKeyOXZKATIKTYCTJB-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.41
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine

1-naphthalen-2-ylsulfonyl-4-phenylpiperidine (PubChem CID 4729267) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
PubChem CID4729267
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H21NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-11,16,19H,12-15H2
InChIKeyOXZKATIKTYCTJB-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
CID 52998087
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 6551053
3-(4-fluorophenyl)-1-naphthalen-2-ylsulfonylazepane
CID 90608901
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine (CID 4729267) is 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine is O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine?
The InChIKey is OXZKATIKTYCTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-11,16,19H,12-15H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine?
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine has a molecular weight of 351.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-phenylpiperidine is sourced from PubChem (CID 4729267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).