3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide

C11H14Cl2N2O2S — CID 28810999

IUPAC3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2
InChIKeyDEBGTJCCEHEKME-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.02
Rot. Bonds3

About 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide

3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 28810999) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID28810999
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2
InChIKeyDEBGTJCCEHEKME-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide (CID 28810999) is 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is DEBGTJCCEHEKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2.
What are the key properties of 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 28810999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).