N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide

C21H32N2O3S — CID 33163817

IUPACN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(CCCC1CCCCC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H32N2O3S/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-19(15-17-23)22-27(25,26)20-11-5-2-6-12-20/h2,5-6,11-12,18-19,22H,1,3-4,7-10,13-17H2
InChIKeyYWQNCALMYAQYRL-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.71
Rot. Bonds7

About N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide

N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 33163817) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID33163817
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(CCCC1CCCCC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H32N2O3S/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-19(15-17-23)22-27(25,26)20-11-5-2-6-12-20/h2,5-6,11-12,18-19,22H,1,3-4,7-10,13-17H2
InChIKeyYWQNCALMYAQYRL-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
CID 139613468
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-[1-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 41470228
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566208
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide (CID 33163817) is N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide is O=C(CCCC1CCCCC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is YWQNCALMYAQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c24-21(13-7-10-18-8-3-1-4-9-18)23-16-14-19(15-17-23)22-27(25,26)20-11-5-2-6-12-20/h2,5-6,11-12,18-19,22H,1,3-4,7-10,13-17H2.
What are the key properties of N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 392.57 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33163817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).