5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C11H11BrN2O3S — CID 60823742

IUPAC5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2C)on1
InChIInChI=1S/C11H11BrN2O3S/c1-7-3-4-9(12)6-10(7)18(15,16)14-11-5-8(2)13-17-11/h3-6,14H,1-2H3
InChIKeyXSBYACOLHXSCFT-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 60823742) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID60823742
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC Name5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2C)on1
InChIInChI=1S/C11H11BrN2O3S/c1-7-3-4-9(12)6-10(7)18(15,16)14-11-5-8(2)13-17-11/h3-6,14H,1-2H3
InChIKeyXSBYACOLHXSCFT-UHFFFAOYSA-N
XLogP2.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 54888419
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 107860458
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
CID 62162311
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 60823742) is 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)ccc2C)on1.
What is the InChIKey of 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is XSBYACOLHXSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-7-3-4-9(12)6-10(7)18(15,16)14-11-5-8(2)13-17-11/h3-6,14H,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 331.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 60823742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).