4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

C16H13BrN2O3S — CID 10249970

IUPAC4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2ccc(Br)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13BrN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
InChIKeyMIWGTEDDCFJPDK-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.73
Rot. Bonds3

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

4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 10249970) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID10249970
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2ccc(Br)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13BrN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
InChIKeyMIWGTEDDCFJPDK-UHFFFAOYSA-N
XLogP3.73
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
4-bromobenzenesulfonamide;ethane
CID 143929211
4-(4-bromophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole
CID 58833244
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 57275035
4-[3-(4-chloro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745952
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 10249970) is 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is Cc1onc(-c2ccc(Br)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is MIWGTEDDCFJPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10249970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).