4-bromo-2-fluoro-N-propylbenzenesulfonamide

C9H11BrFNO2S — CID 116527446

IUPAC4-bromo-2-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyAGDPWVYGAARQLT-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.28
Rot. Bonds4

About 4-bromo-2-fluoro-N-propylbenzenesulfonamide

4-bromo-2-fluoro-N-propylbenzenesulfonamide (PubChem CID 116527446) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-propylbenzenesulfonamide
PubChem CID116527446
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name4-bromo-2-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyAGDPWVYGAARQLT-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-(2-butoxyethyl)-2-fluorobenzenesulfonamide
CID 116528205
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-propylbenzenesulfonamide (CID 116527446) is 4-bromo-2-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-propylbenzenesulfonamide?
The InChIKey is AGDPWVYGAARQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-propylbenzenesulfonamide?
4-bromo-2-fluoro-N-propylbenzenesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 116527446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).