4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide

C12H18BrNO3S — CID 850071

IUPAC4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br
InChIInChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyQWFYMKHTJZNUAI-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.88
Rot. Bonds6

About 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide

4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide (PubChem CID 850071) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
PubChem CID850071
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br
InChIInChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyQWFYMKHTJZNUAI-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

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
4-Bromo-2-(1-pyrrolidinylsulfonyl)phenyl ethyl ether
CID 700235
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 850060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide (CID 850071) is 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide is CCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide?
The InChIKey is QWFYMKHTJZNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide?
4-bromo-3-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-3-ethoxy-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 850071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).