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

C18H29ClN2O3S — CID 1252672

IUPAC5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H29ClN2O3S/c1-7-24-15-8-12(2)14(19)9-16(15)25(22,23)20-13-10-17(3,4)21-18(5,6)11-13/h8-9,13,20-21H,7,10-11H2,1-6H3
InChIKeyJMRRMYWDXBLKGB-UHFFFAOYSA-N
MW388.96 g/mol
LogP3.63
Rot. Bonds5

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

5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1252672) has the molecular formula C18H29ClN2O3S and a molecular weight of 388.96 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1252672
Molecular FormulaC18H29ClN2O3S
Molecular Weight388.96 g/mol
Exact Mass388.16
IUPAC Name5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H29ClN2O3S/c1-7-24-15-8-12(2)14(19)9-16(15)25(22,23)20-13-10-17(3,4)21-18(5,6)11-13/h8-9,13,20-21H,7,10-11H2,1-6H3
InChIKeyJMRRMYWDXBLKGB-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850002
1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)pyrrolidine
CID 850056
5-chloro-2-methoxy-4-methyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256412
5-chloro-2-ethoxy-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 1818630
5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
CID 2237427
5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
CID 850051
3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1288004
5-chloro-N,N-diethyl-4-methyl-2-propoxybenzenesulfonamide
CID 1818631
5-chloro-2-methoxy-4-methyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2239372
5-chloro-2-methoxy-4-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2966811
5-chloro-2-ethoxy-4-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2978804
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 579960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1252672) is 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is JMRRMYWDXBLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O3S/c1-7-24-15-8-12(2)14(19)9-16(15)25(22,23)20-13-10-17(3,4)21-18(5,6)11-13/h8-9,13,20-21H,7,10-11H2,1-6H3.
What are the key properties of 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 388.96 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).