4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

C11H10BrFN2O3S — CID 75510151

IUPAC4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN2O3S/c1-7-10(14-6-18-7)5-15-19(16,17)11-3-2-8(12)4-9(11)13/h2-4,6,15H,5H2,1H3
InChIKeyQIHPSBNRKYBNOI-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.36
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 75510151) has the molecular formula C11H10BrFN2O3S and a molecular weight of 349.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID75510151
Molecular FormulaC11H10BrFN2O3S
Molecular Weight349.18 g/mol
Exact Mass347.96
IUPAC Name4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN2O3S/c1-7-10(14-6-18-7)5-15-19(16,17)11-3-2-8(12)4-9(11)13/h2-4,6,15H,5H2,1H3
InChIKeyQIHPSBNRKYBNOI-UHFFFAOYSA-N
XLogP2.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 75510151) is 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1ocnc1CNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is QIHPSBNRKYBNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O3S/c1-7-10(14-6-18-7)5-15-19(16,17)11-3-2-8(12)4-9(11)13/h2-4,6,15H,5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 349.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75510151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).