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

C22H28N2O3S — CID 41470537

IUPACN-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-3-7-18-10-12-19(13-11-18)22(25)24-16-14-20(15-17-24)23-28(26,27)21-8-5-4-6-9-21/h4-6,8-13,20,23H,2-3,7,14-17H2,1H3
InChIKeyXIJMZCQOPPMVOU-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.61
Rot. Bonds7

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

N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 41470537) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID41470537
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-3-7-18-10-12-19(13-11-18)22(25)24-16-14-20(15-17-24)23-28(26,27)21-8-5-4-6-9-21/h4-6,8-13,20,23H,2-3,7,14-17H2,1H3
InChIKeyXIJMZCQOPPMVOU-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide (CID 41470537) is N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide is CCCCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is XIJMZCQOPPMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-3-7-18-10-12-19(13-11-18)22(25)24-16-14-20(15-17-24)23-28(26,27)21-8-5-4-6-9-21/h4-6,8-13,20,23H,2-3,7,14-17H2,1H3.
What are the key properties of N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 41470537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).