4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C22H26N2O4S — CID 41309315

IUPAC4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(2)23-29(27,28)20-10-8-19(9-11-20)22(26)24-14-12-18(13-15-24)21(25)17-6-4-3-5-7-17/h3-11,16,18,23H,12-15H2,1-2H3
InChIKeyVAWFPIFILGSLHA-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.11
Rot. Bonds6

About 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 41309315) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID41309315
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(2)23-29(27,28)20-10-8-19(9-11-20)22(26)24-14-12-18(13-15-24)21(25)17-6-4-3-5-7-17/h3-11,16,18,23H,12-15H2,1-2H3
InChIKeyVAWFPIFILGSLHA-UHFFFAOYSA-N
XLogP3.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 41309315) is 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VAWFPIFILGSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16(2)23-29(27,28)20-10-8-19(9-11-20)22(26)24-14-12-18(13-15-24)21(25)17-6-4-3-5-7-17/h3-11,16,18,23H,12-15H2,1-2H3.
What are the key properties of 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 41309315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).