4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C9H9BrFN5O2S — CID 107650040

IUPAC4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C9H9BrFN5O2S/c1-5(9-12-15-16-13-9)14-19(17,18)6-2-3-7(10)8(11)4-6/h2-5,14H,1H3,(H,12,13,15,16)
InChIKeyFCONMAQDCSJTKZ-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.14
Rot. Bonds4

About 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 107650040) has the molecular formula C9H9BrFN5O2S and a molecular weight of 350.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID107650040
Molecular FormulaC9H9BrFN5O2S
Molecular Weight350.17 g/mol
Exact Mass348.96
IUPAC Name4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C9H9BrFN5O2S/c1-5(9-12-15-16-13-9)14-19(17,18)6-2-3-7(10)8(11)4-6/h2-5,14H,1H3,(H,12,13,15,16)
InChIKeyFCONMAQDCSJTKZ-UHFFFAOYSA-N
XLogP1.14
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106919313
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400
3-fluoro-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]benzoic acid
CID 79177706
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 107650040) is 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)c(F)c1)c1nn[nH]n1.
What is the InChIKey of 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is FCONMAQDCSJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN5O2S/c1-5(9-12-15-16-13-9)14-19(17,18)6-2-3-7(10)8(11)4-6/h2-5,14H,1H3,(H,12,13,15,16).
What are the key properties of 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 350.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107650040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).