4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide

C19H30BrN3O2S — CID 118462171

IUPAC4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H30BrN3O2S/c20-17-5-7-19(8-6-17)26(24,25)21-11-4-12-22-15-9-18(10-16-22)23-13-2-1-3-14-23/h5-8,18,21H,1-4,9-16H2
InChIKeyXUGBUXAZGZRMIT-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.07
Rot. Bonds7

About 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide

4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 118462171) has the molecular formula C19H30BrN3O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID118462171
Molecular FormulaC19H30BrN3O2S
Molecular Weight444.44 g/mol
Exact Mass443.12
IUPAC Name4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H30BrN3O2S/c20-17-5-7-19(8-6-17)26(24,25)21-11-4-12-22-15-9-18(10-16-22)23-13-2-1-3-14-23/h5-8,18,21H,1-4,9-16H2
InChIKeyXUGBUXAZGZRMIT-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]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

4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462234
4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
CID 123454556
N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 126581729
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide (CID 118462171) is 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is XUGBUXAZGZRMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O2S/c20-17-5-7-19(8-6-17)26(24,25)21-11-4-12-22-15-9-18(10-16-22)23-13-2-1-3-14-23/h5-8,18,21H,1-4,9-16H2.
What are the key properties of 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 444.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 118462171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).