N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H11BrN2O3S — CID 3638817

IUPACN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-9(12)4-6-10/h3-6,14H,1-2H3
InChIKeyAABYYGGKCQWHRA-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.85
Rot. Bonds3

About N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3638817) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3638817
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC NameN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-9(12)4-6-10/h3-6,14H,1-2H3
InChIKeyAABYYGGKCQWHRA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3638817) is N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is AABYYGGKCQWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-9(12)4-6-10/h3-6,14H,1-2H3.
What are the key properties of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide 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 N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3638817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).