3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide

C11H14BrClN2O2S — CID 106606906

IUPAC3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2/t8-/m1/s1
InChIKeyBFEKUBGUQNKECS-MRVPVSSYSA-N
MW353.67 g/mol
LogP2.13
Rot. Bonds3

About 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide

3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide (PubChem CID 106606906) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
PubChem CID106606906
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2/t8-/m1/s1
InChIKeyBFEKUBGUQNKECS-MRVPVSSYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide (CID 106606906) is 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is BFEKUBGUQNKECS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 106606906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).