[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone

C22H21NO3S2 — CID 71808743

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H21NO3S2/c24-22(18-8-6-17(7-9-18)19-12-15-27-16-19)23-13-10-21(11-14-23)28(25,26)20-4-2-1-3-5-20/h1-9,12,15-16,21H,10-11,13-14H2
InChIKeyDPESHRZSOJEKTQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.49
Rot. Bonds4

About [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone

[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone (PubChem CID 71808743) has the molecular formula C22H21NO3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
PubChem CID71808743
Molecular FormulaC22H21NO3S2
Molecular Weight411.55 g/mol
Exact Mass411.10
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H21NO3S2/c24-22(18-8-6-17(7-9-18)19-12-15-27-16-19)23-13-10-21(11-14-23)28(25,26)20-4-2-1-3-5-20/h1-9,12,15-16,21H,10-11,13-14H2
InChIKeyDPESHRZSOJEKTQ-UHFFFAOYSA-N
XLogP4.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730850
quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730849
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
N-(2,1,3-benzothiadiazol-4-yl)-4-(4-thiophen-3-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24730834
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160270
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone (CID 71808743) is [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone is O=C(c1ccc(-c2ccsc2)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
The InChIKey is DPESHRZSOJEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S2/c24-22(18-8-6-17(7-9-18)19-12-15-27-16-19)23-13-10-21(11-14-23)28(25,26)20-4-2-1-3-5-20/h1-9,12,15-16,21H,10-11,13-14H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone?
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone has a molecular weight of 411.55 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone is sourced from PubChem (CID 71808743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).