4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide

C18H18BrFN2O3S — CID 1101775

IUPAC4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18BrFN2O3S/c19-16-8-7-13(18(23)21-15-6-4-5-14(20)12-15)11-17(16)26(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,21,23)
InChIKeyISAOBGORZMSZEL-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.02
Rot. Bonds4

About 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide

4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1101775) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1101775
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC Name4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18BrFN2O3S/c19-16-8-7-13(18(23)21-15-6-4-5-14(20)12-15)11-17(16)26(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,21,23)
InChIKeyISAOBGORZMSZEL-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
3-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 5128837
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1127122
N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068868
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-fluorophenyl)-4-chlorobenzamide
CID 55796442

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1101775) is 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ISAOBGORZMSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c19-16-8-7-13(18(23)21-15-6-4-5-14(20)12-15)11-17(16)26(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,21,23).
What are the key properties of 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 441.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).