4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C17H19BrN2O2S — CID 2435475

IUPAC4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyPTHFVGMUNSLKLH-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 2435475) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID2435475
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyPTHFVGMUNSLKLH-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline
CID 141192151
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 2435475) is 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is PTHFVGMUNSLKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2.
What are the key properties of 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 395.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).