N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C19H20BrFN2O3S — CID 46770290

IUPACN-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20BrFN2O3S/c20-16-8-9-18(17(21)12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyRUVBBFXZUBKYEL-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 46770290) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID46770290
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20BrFN2O3S/c20-16-8-9-18(17(21)12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyRUVBBFXZUBKYEL-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642245
N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30378930
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46763294
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 60593281
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 46770290) is N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is O=C(Nc1ccc(Br)cc1F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is RUVBBFXZUBKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c20-16-8-9-18(17(21)12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 455.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46770290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).