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

C18H29ClN2O3S — CID 1288004

IUPAC3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H29ClN2O3S/c1-11-8-14(24-7)16(12(2)15(11)19)25(22,23)20-13-9-17(3,4)21-18(5,6)10-13/h8,13,20-21H,9-10H2,1-7H3
InChIKeyUAZPDPGHLYTXQY-UHFFFAOYSA-N
MW388.96 g/mol
LogP3.55
Rot. Bonds4

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

3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1288004) has the molecular formula C18H29ClN2O3S and a molecular weight of 388.96 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1288004
Molecular FormulaC18H29ClN2O3S
Molecular Weight388.96 g/mol
Exact Mass388.16
IUPAC Name3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H29ClN2O3S/c1-11-8-14(24-7)16(12(2)15(11)19)25(22,23)20-13-9-17(3,4)21-18(5,6)10-13/h8,13,20-21H,9-10H2,1-7H3
InChIKeyUAZPDPGHLYTXQY-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 53.55
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
3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide
CID 850023
5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1252672
5-chloro-2-methoxy-4-methyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2239372
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 579960
1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)-2-ethylpiperidine
CID 20105655
5-chloro-2-methoxy-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2954887
4-((3-Chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl)-2,6-dimethylmorpholine
CID 3154513
5-chloro-N-(2-(cyclohex-1-en-1-yl)ethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 8441979
(S)-1-(5-chloro-2-ethoxy-4-tolylsulfonyl)-2-methylpiperidine
CID 8442007
5-chloro-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1288361
4-Chloro-3,5-dimethyl-2-(1-piperidinylsulfonyl)phenyl methyl ether
CID 849976

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1288004) is 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UAZPDPGHLYTXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O3S/c1-11-8-14(24-7)16(12(2)15(11)19)25(22,23)20-13-9-17(3,4)21-18(5,6)10-13/h8,13,20-21H,9-10H2,1-7H3.
What are the key properties of 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 388.96 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1288004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).