N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide

C22H28N2O3S — CID 108563683

IUPACN-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3S/c1-2-3-17-28(26,27)23-21-13-15-24(16-14-21)22(25)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21,23H,2-3,13-17H2,1H3
InChIKeyOLVWFUFTWINKNL-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide

N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108563683) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID108563683
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3S/c1-2-3-17-28(26,27)23-21-13-15-24(16-14-21)22(25)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21,23H,2-3,13-17H2,1H3
InChIKeyOLVWFUFTWINKNL-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide (CID 108563683) is N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is OLVWFUFTWINKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-3-17-28(26,27)23-21-13-15-24(16-14-21)22(25)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21,23H,2-3,13-17H2,1H3.
What are the key properties of N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108563683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).