N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

C16H13BrN2O3S — CID 57275035

IUPACN-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2ccc(Br)cc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(19-23(20,21)14-5-3-2-4-6-14)16(18-22-11)12-7-9-13(17)10-8-12/h2-10,19H,1H3
InChIKeyMCTMILLABPLQMT-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.21
Rot. Bonds4

About N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 57275035) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID57275035
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC NameN-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2ccc(Br)cc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(19-23(20,21)14-5-3-2-4-6-14)16(18-22-11)12-7-9-13(17)10-8-12/h2-10,19H,1H3
InChIKeyMCTMILLABPLQMT-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-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 57275035) is N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is Cc1onc(-c2ccc(Br)cc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is MCTMILLABPLQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-11-15(19-23(20,21)14-5-3-2-4-6-14)16(18-22-11)12-7-9-13(17)10-8-12/h2-10,19H,1H3.
What are the key properties of N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide 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-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 57275035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).