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

C14H11BrN2O3S2 — CID 23445388

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2sccc2-c2ccccc2)c1Br
InChIInChI=1S/C14H11BrN2O3S2/c1-9-12(15)13(20-16-9)17-22(18,19)14-11(7-8-21-14)10-5-3-2-4-6-10/h2-8,17H,1H3
InChIKeyXEAVSGOYZRKLQG-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.27
Rot. Bonds4

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide (PubChem CID 23445388) has the molecular formula C14H11BrN2O3S2 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide
PubChem CID23445388
Molecular FormulaC14H11BrN2O3S2
Molecular Weight399.29 g/mol
Exact Mass397.94
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2sccc2-c2ccccc2)c1Br
InChIInChI=1S/C14H11BrN2O3S2/c1-9-12(15)13(20-16-9)17-22(18,19)14-11(7-8-21-14)10-5-3-2-4-6-10/h2-8,17H,1H3
InChIKeyXEAVSGOYZRKLQG-UHFFFAOYSA-N
XLogP4.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide (CID 23445388) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide is Cc1noc(NS(=O)(=O)c2sccc2-c2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide?
The InChIKey is XEAVSGOYZRKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S2/c1-9-12(15)13(20-16-9)17-22(18,19)14-11(7-8-21-14)10-5-3-2-4-6-10/h2-8,17H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide has a molecular weight of 399.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 23445388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).