N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide

C27H35BrN2O3S — CID 42700904

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide
SMILESO=C(CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H35BrN2O3S/c28-24-11-13-26(14-12-24)34(32,33)30(25-9-5-2-6-10-25)20-17-27(31)29-18-15-23(16-19-29)21-22-7-3-1-4-8-22/h1,3-4,7-8,11-14,23,25H,2,5-6,9-10,15-21H2
InChIKeyMQXQNIMFOXVQJP-UHFFFAOYSA-N
MW547.56 g/mol
LogP5.64
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide (PubChem CID 42700904) has the molecular formula C27H35BrN2O3S and a molecular weight of 547.56 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide
PubChem CID42700904
Molecular FormulaC27H35BrN2O3S
Molecular Weight547.56 g/mol
Exact Mass546.16
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide
SMILESO=C(CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H35BrN2O3S/c28-24-11-13-26(14-12-24)34(32,33)30(25-9-5-2-6-10-25)20-17-27(31)29-18-15-23(16-19-29)21-22-7-3-1-4-8-22/h1,3-4,7-8,11-14,23,25H,2,5-6,9-10,15-21H2
InChIKeyMQXQNIMFOXVQJP-UHFFFAOYSA-N
XLogP5.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide 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-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
4-bromo-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056434
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957
N-cyclopentyl-4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776137
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide (CID 42700904) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide is O=C(CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide?
The InChIKey is MQXQNIMFOXVQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BrN2O3S/c28-24-11-13-26(14-12-24)34(32,33)30(25-9-5-2-6-10-25)20-17-27(31)29-18-15-23(16-19-29)21-22-7-3-1-4-8-22/h1,3-4,7-8,11-14,23,25H,2,5-6,9-10,15-21H2.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide has a molecular weight of 547.56 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 42700904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).