5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide

C10H13BrFNO2S — CID 110760985

IUPAC5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-3-13(4-2)16(14,15)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyAMNSFQKASZQRAF-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide

5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide (PubChem CID 110760985) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
PubChem CID110760985
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-3-13(4-2)16(14,15)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyAMNSFQKASZQRAF-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
4-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 116527494
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
N-(3-amino-2-methylpropyl)-5-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 115272371
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide (CID 110760985) is 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide?
The InChIKey is AMNSFQKASZQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-3-13(4-2)16(14,15)10-7-8(11)5-6-9(10)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide?
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 110760985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).