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

C23H19BrN2O4S — CID 141224668

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(c3ccccc3)c3onc(C)c3Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O4S/c1-16-22(24)23(30-25-16)26(19-6-4-3-5-7-19)31(27,28)21-14-10-18(11-15-21)17-8-12-20(29-2)13-9-17/h3-15H,1-2H3
InChIKeyMNOJPXNFDDGLSV-UHFFFAOYSA-N
MW499.39 g/mol
LogP5.95
Rot. Bonds6

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide (PubChem CID 141224668) has the molecular formula C23H19BrN2O4S and a molecular weight of 499.39 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
PubChem CID141224668
Molecular FormulaC23H19BrN2O4S
Molecular Weight499.39 g/mol
Exact Mass498.02
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(c3ccccc3)c3onc(C)c3Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O4S/c1-16-22(24)23(30-25-16)26(19-6-4-3-5-7-19)31(27,28)21-14-10-18(11-15-21)17-8-12-20(29-2)13-9-17/h3-15H,1-2H3
InChIKeyMNOJPXNFDDGLSV-UHFFFAOYSA-N
XLogP5.95
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
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)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide (CID 141224668) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)N(c3ccccc3)c3onc(C)c3Br)cc2)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide?
The InChIKey is MNOJPXNFDDGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4S/c1-16-22(24)23(30-25-16)26(19-6-4-3-5-7-19)31(27,28)21-14-10-18(11-15-21)17-8-12-20(29-2)13-9-17/h3-15H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide has a molecular weight of 499.39 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 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)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 141224668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).