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

C12H12BrFN2O3S — CID 106543915

IUPAC4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2F)o1
InChIInChI=1S/C12H12BrFN2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3
InChIKeyBXCSWLSQOPAZLS-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.62
Rot. Bonds5

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

4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 106543915) has the molecular formula C12H12BrFN2O3S and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID106543915
Molecular FormulaC12H12BrFN2O3S
Molecular Weight363.21 g/mol
Exact Mass361.97
IUPAC Name4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2F)o1
InChIInChI=1S/C12H12BrFN2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3
InChIKeyBXCSWLSQOPAZLS-UHFFFAOYSA-N
XLogP2.62
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
CID 116528774
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 106543915) is 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2F)o1.
What is the InChIKey of 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is BXCSWLSQOPAZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3.
What are the key properties of 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106543915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).