N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide

C12H9BrN2O4S2 — CID 174364946

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(-c3cccs3)o2)c1Br
InChIInChI=1S/C12H9BrN2O4S2/c1-7-11(13)12(19-14-7)15-21(16,17)10-5-4-8(18-10)9-3-2-6-20-9/h2-6,15H,1H3
InChIKeyLNGWNHLSQLGFOQ-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.87
Rot. Bonds4

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide (PubChem CID 174364946) has the molecular formula C12H9BrN2O4S2 and a molecular weight of 389.25 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
PubChem CID174364946
Molecular FormulaC12H9BrN2O4S2
Molecular Weight389.25 g/mol
Exact Mass387.92
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(-c3cccs3)o2)c1Br
InChIInChI=1S/C12H9BrN2O4S2/c1-7-11(13)12(19-14-7)15-21(16,17)10-5-4-8(18-10)9-3-2-6-20-9/h2-6,15H,1H3
InChIKeyLNGWNHLSQLGFOQ-UHFFFAOYSA-N
XLogP3.87
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide (CID 174364946) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide is Cc1noc(NS(=O)(=O)c2ccc(-c3cccs3)o2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide?
The InChIKey is LNGWNHLSQLGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4S2/c1-7-11(13)12(19-14-7)15-21(16,17)10-5-4-8(18-10)9-3-2-6-20-9/h2-6,15H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide has a molecular weight of 389.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide is sourced from PubChem (CID 174364946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).