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

C16H24Cl2N2O3S — CID 1242669

IUPAC3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)12-7-6-11(17)13(18)14(12)23-5/h6-7,10,19-20H,8-9H2,1-5H3
InChIKeyOBOBRTLVHYQJFC-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.59
Rot. Bonds4

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

3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1242669) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1242669
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC Name3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)12-7-6-11(17)13(18)14(12)23-5/h6-7,10,19-20H,8-9H2,1-5H3
InChIKeyOBOBRTLVHYQJFC-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1242669) is 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is OBOBRTLVHYQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)12-7-6-11(17)13(18)14(12)23-5/h6-7,10,19-20H,8-9H2,1-5H3.
What are the key properties of 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 395.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1242669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).