4-bromo-3-piperidin-1-ylsulfonylbenzamide

C12H15BrN2O3S — CID 2843095

IUPAC4-bromo-3-piperidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H15BrN2O3S/c13-10-5-4-9(12(14)16)8-11(10)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,16)
InChIKeySLDDTAVJHQSJHW-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.72
Rot. Bonds3

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

4-bromo-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2843095) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 4-bromo-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2843095
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name4-bromo-3-piperidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H15BrN2O3S/c13-10-5-4-9(12(14)16)8-11(10)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,16)
InChIKeySLDDTAVJHQSJHW-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-3-piperidin-1-ylsulfonylbenzamide (CID 2843095) is 4-bromo-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-3-piperidin-1-ylsulfonylbenzamide is NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SLDDTAVJHQSJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c13-10-5-4-9(12(14)16)8-11(10)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,14,16).
What are the key properties of 4-bromo-3-piperidin-1-ylsulfonylbenzamide?
4-bromo-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 347.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2843095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).