4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide

C12H18BrNO3S — CID 850050

IUPAC4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(Br)ccc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)12-8-7-10(13)9-11(12)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyVAMRJNICBXVJHE-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.88
Rot. Bonds6

About 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide

4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide (PubChem CID 850050) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide
PubChem CID850050
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(Br)ccc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)12-8-7-10(13)9-11(12)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyVAMRJNICBXVJHE-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1236384
CID 1236384
CID 882981
CID 882981
CID 935668
CID 935668
CID 2321418
CID 2321418
CID 700232
CID 700232
CID 700235
CID 700235
CID 2933068
CID 2933068
CID 2969390
CID 2969390
CID 850059
CID 850059
CID 850071
CID 850071
CID 2561928
CID 2561928
CID 2930814
CID 2930814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide (CID 850050) is 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide is CCOc1cc(Br)ccc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide?
The InChIKey is VAMRJNICBXVJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)12-8-7-10(13)9-11(12)17-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide?
4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 850050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).