3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide

C26H28N2O3S — CID 108563684

IUPAC3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1C
InChIInChI=1S/C26H28N2O3S/c1-19-8-13-25(18-20(19)2)32(30,31)27-24-14-16-28(17-15-24)26(29)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,18,24,27H,14-17H2,1-2H3
InChIKeyWUCSGBTXAMMWDB-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.55
Rot. Bonds5

About 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide

3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108563684) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108563684
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1C
InChIInChI=1S/C26H28N2O3S/c1-19-8-13-25(18-20(19)2)32(30,31)27-24-14-16-28(17-15-24)26(29)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,18,24,27H,14-17H2,1-2H3
InChIKeyWUCSGBTXAMMWDB-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide (CID 108563684) is 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is WUCSGBTXAMMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-19-8-13-25(18-20(19)2)32(30,31)27-24-14-16-28(17-15-24)26(29)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,18,24,27H,14-17H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide?
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108563684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).