3-bromo-N-piperidin-3-ylbenzenesulfonamide

C11H15BrN2O2S — CID 63321214

IUPAC3-bromo-N-piperidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1,3,5,7,10,13-14H,2,4,6,8H2
InChIKeyFMGDKJJHUPYAEQ-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.48
Rot. Bonds3

About 3-bromo-N-piperidin-3-ylbenzenesulfonamide

3-bromo-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63321214) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-bromo-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63321214
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-bromo-N-piperidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1,3,5,7,10,13-14H,2,4,6,8H2
InChIKeyFMGDKJJHUPYAEQ-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-piperidin-3-ylbenzenesulfonamide (CID 63321214) is 3-bromo-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-piperidin-3-ylbenzenesulfonamide is O=S(=O)(NC1CCCNC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is FMGDKJJHUPYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-9-3-1-5-11(7-9)17(15,16)14-10-4-2-6-13-8-10/h1,3,5,7,10,13-14H,2,4,6,8H2.
What are the key properties of 3-bromo-N-piperidin-3-ylbenzenesulfonamide?
3-bromo-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).