4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide

C15H22BrNO3S — CID 69254270

IUPAC4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C15H22BrNO3S/c1-3-17(4-2)21(18,19)15(8-10-20-11-9-15)13-6-5-7-14(16)12-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyBZIJLFOZLCJFRZ-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.13
Rot. Bonds5

About 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide

4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide (PubChem CID 69254270) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide.

Molecular Properties

Compound Name4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide
PubChem CID69254270
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C15H22BrNO3S/c1-3-17(4-2)21(18,19)15(8-10-20-11-9-15)13-6-5-7-14(16)12-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyBZIJLFOZLCJFRZ-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide?
The IUPAC name of 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide (CID 69254270) is 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide.
What is the SMILES notation for 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide?
The canonical SMILES for 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide is CCN(CC)S(=O)(=O)C1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide?
The InChIKey is BZIJLFOZLCJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-3-17(4-2)21(18,19)15(8-10-20-11-9-15)13-6-5-7-14(16)12-13/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide?
4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N,N-diethyloxane-4-sulfonamide is sourced from PubChem (CID 69254270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).