1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide

C13H18BrNO3S — CID 71271233

IUPAC1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-15(13-6-8-18-9-7-13)19(16,17)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyWYEJSSKDDDHBNP-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.39
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide

1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide (PubChem CID 71271233) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide
PubChem CID71271233
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-15(13-6-8-18-9-7-13)19(16,17)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyWYEJSSKDDDHBNP-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide (CID 71271233) is 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide is CN(C1CCOCC1)S(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is WYEJSSKDDDHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-15(13-6-8-18-9-7-13)19(16,17)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide?
1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 71271233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).