4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H24Cl2N2O2S — CID 5312196

IUPAC4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H24Cl2N2O2S/c1-10-6-12(17)13(18)7-14(10)23(21,22)19-11-8-15(2,3)20-16(4,5)9-11/h6-7,11,19-20H,8-9H2,1-5H3
InChIKeyMNXFXCHVFPPZHG-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.89
Rot. Bonds3

About 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 5312196) has the molecular formula C16H24Cl2N2O2S and a molecular weight of 379.35 g/mol. Its IUPAC name is 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID5312196
Molecular FormulaC16H24Cl2N2O2S
Molecular Weight379.35 g/mol
Exact Mass378.09
IUPAC Name4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H24Cl2N2O2S/c1-10-6-12(17)13(18)7-14(10)23(21,22)19-11-8-15(2,3)20-16(4,5)9-11/h6-7,11,19-20H,8-9H2,1-5H3
InChIKeyMNXFXCHVFPPZHG-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 5312196) is 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is MNXFXCHVFPPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O2S/c1-10-6-12(17)13(18)7-14(10)23(21,22)19-11-8-15(2,3)20-16(4,5)9-11/h6-7,11,19-20H,8-9H2,1-5H3.
What are the key properties of 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 379.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 5312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).