4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C17H27BrN2O4S — CID 2211941

IUPAC4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Br
InChIInChI=1S/C17H27BrN2O4S/c1-16(2)9-11(10-17(3,4)20-16)19-25(21,22)15-8-13(23-5)12(18)7-14(15)24-6/h7-8,11,19-20H,9-10H2,1-6H3
InChIKeyZKDACWCAOWYIJW-UHFFFAOYSA-N
MW435.38 g/mol
LogP3.05
Rot. Bonds5

About 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2211941) has the molecular formula C17H27BrN2O4S and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID2211941
Molecular FormulaC17H27BrN2O4S
Molecular Weight435.38 g/mol
Exact Mass434.09
IUPAC Name4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Br
InChIInChI=1S/C17H27BrN2O4S/c1-16(2)9-11(10-17(3,4)20-16)19-25(21,22)15-8-13(23-5)12(18)7-14(15)24-6/h7-8,11,19-20H,9-10H2,1-6H3
InChIKeyZKDACWCAOWYIJW-UHFFFAOYSA-N
XLogP3.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 91670076
2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 9266608
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
4-methoxy-3-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1091004
4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 5312196
N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43597871
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 6473379
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 2211941) is 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Br.
What is the InChIKey of 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZKDACWCAOWYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O4S/c1-16(2)9-11(10-17(3,4)20-16)19-25(21,22)15-8-13(23-5)12(18)7-14(15)24-6/h7-8,11,19-20H,9-10H2,1-6H3.
What are the key properties of 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 435.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2211941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).