4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C11H13BrCl2N2O2S — CID 95400196

IUPAC4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c12-7-4-9(13)11(10(14)5-7)19(17,18)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2/t8-/m0/s1
InChIKeyZSQBKXIKLFTHFT-QMMMGPOBSA-N
MW388.11 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 95400196) has the molecular formula C11H13BrCl2N2O2S and a molecular weight of 388.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID95400196
Molecular FormulaC11H13BrCl2N2O2S
Molecular Weight388.11 g/mol
Exact Mass385.93
IUPAC Name4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c12-7-4-9(13)11(10(14)5-7)19(17,18)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2/t8-/m0/s1
InChIKeyZSQBKXIKLFTHFT-QMMMGPOBSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
CID 120999547
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 43652967
4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
CID 18141545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 95400196) is 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCNC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is ZSQBKXIKLFTHFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2S/c12-7-4-9(13)11(10(14)5-7)19(17,18)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2/t8-/m0/s1.
What are the key properties of 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 388.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95400196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).