N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide

C13H18BrNO3S — CID 55031392

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

About N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide

N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide (PubChem CID 55031392) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
PubChem CID55031392
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H18BrNO3S/c1-15(10-11-2-4-12(14)5-3-11)19(16,17)13-6-8-18-9-7-13/h2-5,13H,6-10H2,1H3
InChIKeyLZDRHTAFWGLCRN-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 N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide (CID 55031392) is N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide?
The InChIKey is LZDRHTAFWGLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-15(10-11-2-4-12(14)5-3-11)19(16,17)13-6-8-18-9-7-13/h2-5,13H,6-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide?
N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide 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 N-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 55031392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).