4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide

C18H19BrN2O3S — CID 1110928

IUPAC4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19BrN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,22)
InChIKeyXFCWVBHDGMDFQJ-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.88
Rot. Bonds4

About 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide

4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1110928) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1110928
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H19BrN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,22)
InChIKeyXFCWVBHDGMDFQJ-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide 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

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-benzyl-4-bromo-3-(1-piperidinylsulfonyl)benzamide
CID 1127069
4-[3-(4-Bromo-phenyl)-3-oxo-propenylamino]-benzenesulfonamide
CID 2185394
3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168284154
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide (CID 1110928) is 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XFCWVBHDGMDFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,22).
What are the key properties of 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 423.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1110928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).