2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H24Cl2N2O3S — CID 9266608

IUPAC2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)14-7-11(17)13(23-5)6-12(14)18/h6-7,10,19-20H,8-9H2,1-5H3
InChIKeyYUISJGWPRHLYEU-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.59
Rot. Bonds4

About 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 9266608) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID9266608
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC Name2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)14-7-11(17)13(23-5)6-12(14)18/h6-7,10,19-20H,8-9H2,1-5H3
InChIKeyYUISJGWPRHLYEU-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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Related Compounds

4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 5312196
4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 2211941
5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 91670076
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
4-methoxy-3-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1091004
2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 47002036
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 91948739
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 9266608) is 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is YUISJGWPRHLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O3S/c1-15(2)8-10(9-16(3,4)20-15)19-24(21,22)14-7-11(17)13(23-5)6-12(14)18/h6-7,10,19-20H,8-9H2,1-5H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2,5-dichloro-4-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 2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 9266608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).