5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide

C13H18BrNO4S — CID 103896516

IUPAC5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1(C)CCCOC1
InChIInChI=1S/C13H18BrNO4S/c1-13(6-3-7-19-9-13)15-20(16,17)12-8-10(14)4-5-11(12)18-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyHXFBOTSWQDWIJV-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.31
Rot. Bonds4

About 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide

5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide (PubChem CID 103896516) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
PubChem CID103896516
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1(C)CCCOC1
InChIInChI=1S/C13H18BrNO4S/c1-13(6-3-7-19-9-13)15-20(16,17)12-8-10(14)4-5-11(12)18-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyHXFBOTSWQDWIJV-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896531
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 103848139
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5-bromo-N-(1-methylcyclohexyl)-2-nitrobenzenesulfonamide
CID 61223531
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
CID 106546677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide (CID 103896516) is 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC1(C)CCCOC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide?
The InChIKey is HXFBOTSWQDWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-13(6-3-7-19-9-13)15-20(16,17)12-8-10(14)4-5-11(12)18-2/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide has a molecular weight of 364.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103896516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).