4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

C10H10BrFN4O2S — CID 116528824

IUPAC4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2
InChIKeyLGILCKCBTBNPQB-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.16
Rot. Bonds5

About 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 116528824) has the molecular formula C10H10BrFN4O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID116528824
Molecular FormulaC10H10BrFN4O2S
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2
InChIKeyLGILCKCBTBNPQB-UHFFFAOYSA-N
XLogP1.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (CID 116528824) is 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccnn1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is LGILCKCBTBNPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S/c11-8-1-2-10(9(12)7-8)19(17,18)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2.
What are the key properties of 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 349.19 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 116528824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).