2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide

C11H14Br2N2O2S — CID 95400193

IUPAC2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1
InChIKeyCJRKKICKHWNUSU-SECBINFHSA-N
MW398.12 g/mol
LogP2.24
Rot. Bonds3

About 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide

2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide (PubChem CID 95400193) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
PubChem CID95400193
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC Name2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1
InChIKeyCJRKKICKHWNUSU-SECBINFHSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915
5-bromo-2-nitro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964575
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
2-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide (CID 95400193) is 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCNC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is CJRKKICKHWNUSU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 398.12 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95400193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).