4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide

C19H21BrN2O4S — CID 112771542

IUPAC4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C19H21BrN2O4S/c20-16-6-8-18(9-7-16)27(25,26)21-17-5-1-4-15(11-17)19(24)22-10-2-3-14(12-22)13-23/h1,4-9,11,14,21,23H,2-3,10,12-13H2
InChIKeyALBQIFQRRIHZQH-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.09
Rot. Bonds5

About 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide

4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 112771542) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID112771542
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C19H21BrN2O4S/c20-16-6-8-18(9-7-16)27(25,26)21-17-5-1-4-15(11-17)19(24)22-10-2-3-14(12-22)13-23/h1,4-9,11,14,21,23H,2-3,10,12-13H2
InChIKeyALBQIFQRRIHZQH-UHFFFAOYSA-N
XLogP3.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]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-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 18160418
4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 46674523
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,4-difluorobenzenesulfonamide
CID 119485876
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide (CID 112771542) is 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC(CO)C1.
What is the InChIKey of 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is ALBQIFQRRIHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c20-16-6-8-18(9-7-16)27(25,26)21-17-5-1-4-15(11-17)19(24)22-10-2-3-14(12-22)13-23/h1,4-9,11,14,21,23H,2-3,10,12-13H2.
What are the key properties of 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide?
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 453.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 112771542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).