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

C16H13BrN2O3S — CID 15453179

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1Br
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,19H,1H3
InChIKeyMFSNNOLDVFKULH-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.21
Rot. Bonds4

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide (PubChem CID 15453179) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide
PubChem CID15453179
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1Br
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,19H,1H3
InChIKeyMFSNNOLDVFKULH-UHFFFAOYSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide (CID 15453179) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide is Cc1noc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide?
The InChIKey is MFSNNOLDVFKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,19H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-phenylbenzenesulfonamide is sourced from PubChem (CID 15453179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).