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

C11H11BrN2O3S — CID 79477683

IUPAC5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H11BrN2O3S/c1-8-2-3-9(12)6-11(8)18(15,16)13-7-10-4-5-17-14-10/h2-6,13H,7H2,1H3
InChIKeyFSBDXZDAWXWOHH-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.22
Rot. Bonds4

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

5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 79477683) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID79477683
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC Name5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H11BrN2O3S/c1-8-2-3-9(12)6-11(8)18(15,16)13-7-10-4-5-17-14-10/h2-6,13H,7H2,1H3
InChIKeyFSBDXZDAWXWOHH-UHFFFAOYSA-N
XLogP2.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 79477683) is 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCc1ccon1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is FSBDXZDAWXWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-8-2-3-9(12)6-11(8)18(15,16)13-7-10-4-5-17-14-10/h2-6,13H,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 331.19 g/mol, XLogP of 2.22, 4 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-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79477683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).