4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C11H11BrCl2N2O3S — CID 49149515

IUPAC4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H11BrCl2N2O3S/c12-6-4-7(13)10(8(14)5-6)20(18,19)16-9-2-1-3-15-11(9)17/h4-5,9,16H,1-3H2,(H,15,17)
InChIKeyGFOYARACMLMUGJ-UHFFFAOYSA-N
MW402.10 g/mol
LogP2.31
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 49149515) has the molecular formula C11H11BrCl2N2O3S and a molecular weight of 402.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID49149515
Molecular FormulaC11H11BrCl2N2O3S
Molecular Weight402.10 g/mol
Exact Mass399.91
IUPAC Name4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H11BrCl2N2O3S/c12-6-4-7(13)10(8(14)5-6)20(18,19)16-9-2-1-3-15-11(9)17/h4-5,9,16H,1-3H2,(H,15,17)
InChIKeyGFOYARACMLMUGJ-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.10
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55627730
2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 154858969
4-(4-bromo-2,6-dichlorophenyl)sulfonyl-N-pentylpiperazine-1-carboxamide
CID 16363454
4-bromo-2,6-dichloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 45911415
1-(4-Bromo-2,6-dichlorobenzenesulfonyl)piperazine
CID 3862176
1-(4-Bromo-2,6-dichlorophenyl)sulfonylpiperazin-4-ium
CID 7063088
2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 8320748
4-((4-Bromo-2-chlorophenyl)sulfonyl)piperazin-2-one
CID 8321469
2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 8401829
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 8713337
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 8800859
(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 8800862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 49149515) is 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide is O=C1NCCCC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is GFOYARACMLMUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2N2O3S/c12-6-4-7(13)10(8(14)5-6)20(18,19)16-9-2-1-3-15-11(9)17/h4-5,9,16H,1-3H2,(H,15,17).
What are the key properties of 4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 402.10 g/mol, XLogP of 2.31, 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-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 49149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).