4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine

C22H23NO2S2 — CID 2823167

IUPAC4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23NO2S2/c24-27(25,21-12-7-17-26-21)23-15-13-20(14-16-23)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20,22H,13-16H2
InChIKeyWVBDBZIDTJBZPW-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.98
Rot. Bonds5

About 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine

4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 2823167) has the molecular formula C22H23NO2S2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine
PubChem CID2823167
Molecular FormulaC22H23NO2S2
Molecular Weight397.56 g/mol
Exact Mass397.12
IUPAC Name4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23NO2S2/c24-27(25,21-12-7-17-26-21)23-15-13-20(14-16-23)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20,22H,13-16H2
InChIKeyWVBDBZIDTJBZPW-UHFFFAOYSA-N
XLogP4.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
1''-[4-Methyl(phenyl)sulfonamido-3-(2-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4''-(hexahydropyridine)]
CID 479852
10-{4-[Methyl(phenylsulfonyl)amino]-3-(2-thienyl)butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1,1-dione
CID 479853
Methyl[4-(4-phenylpiperidyl)-2-(2-thienyl)butyl](phenylsulfonyl)amine
CID 479876
Methyl[4-(4-phenylpiperidyl)-2-(3-thienyl)butyl](phenylsulfonyl)amine
CID 479877
1''-[4-Methyl(phenyl)sulfonamido-3-(3-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4''-(hexahydropyridine)]
CID 482147
10-{4-[Methyl(phenylsulfonyl)amino]-3-(3-thienyl)butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1,1-dione
CID 482148
1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine hydrochloride
CID 6603683
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
2-Thiophenesulfonamide, N-[4-[4-hydroxy-4-(3-phenylpropyl)-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 489305
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]thiophene-2-sulfonamide
CID 489306
Piperidine, 4-(3-phenylpropyl)-1-[[(3S,4S)-4-phenyl-1-(2-thienylsulfonyl)-3-pyrrolidinyl]methyl]-
CID 489312

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine (CID 2823167) is 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is WVBDBZIDTJBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S2/c24-27(25,21-12-7-17-26-21)23-15-13-20(14-16-23)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,20,22H,13-16H2.
What are the key properties of 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine?
4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 397.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 2823167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).