2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H24Cl2N2O2S — CID 47002036

IUPAC2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1Cl
InChIInChI=1S/C16H24Cl2N2O2S/c1-10-12(17)6-7-13(14(10)18)23(21,22)19-11-8-15(2,3)20-16(4,5)9-11/h6-7,11,19-20H,8-9H2,1-5H3
InChIKeyZJKMMVRXENZILO-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.89
Rot. Bonds3

About 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 47002036) has the molecular formula C16H24Cl2N2O2S and a molecular weight of 379.35 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID47002036
Molecular FormulaC16H24Cl2N2O2S
Molecular Weight379.35 g/mol
Exact Mass378.09
IUPAC Name2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1Cl
InChIInChI=1S/C16H24Cl2N2O2S/c1-10-12(17)6-7-13(14(10)18)23(21,22)19-11-8-15(2,3)20-16(4,5)9-11/h6-7,11,19-20H,8-9H2,1-5H3
InChIKeyZJKMMVRXENZILO-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 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 47002036) is 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1c(Cl)ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZJKMMVRXENZILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O2S/c1-10-12(17)6-7-13(14(10)18)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 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2,4-dichloro-3-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 2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 47002036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).