4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C17H27ClN2O3S — CID 991859

IUPAC4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C17H27ClN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3
InChIKeyPXCWJRHXONOGQO-UHFFFAOYSA-N
MW374.93 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 991859) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID991859
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C17H27ClN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3
InChIKeyPXCWJRHXONOGQO-UHFFFAOYSA-N
XLogP3.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 991859) is 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is PXCWJRHXONOGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3.
What are the key properties of 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 374.93 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 991859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).