2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine

C23H18BrClN2O3S — CID 18825997

IUPAC2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
SMILESCc1cc(C)cc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18BrClN2O3S/c1-14-11-15(2)13-19(12-14)26-22-23(31(28,29)20-9-7-18(25)8-10-20)27-21(30-22)16-3-5-17(24)6-4-16/h3-13,26H,1-2H3
InChIKeyAPFWKRQRISMBRA-UHFFFAOYSA-N
MW517.83 g/mol
LogP6.95
Rot. Bonds5

About 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine

2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825997) has the molecular formula C23H18BrClN2O3S and a molecular weight of 517.83 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
PubChem CID18825997
Molecular FormulaC23H18BrClN2O3S
Molecular Weight517.83 g/mol
Exact Mass515.99
IUPAC Name2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
SMILESCc1cc(C)cc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18BrClN2O3S/c1-14-11-15(2)13-19(12-14)26-22-23(31(28,29)20-9-7-18(25)8-10-20)27-21(30-22)16-3-5-17(24)6-4-16/h3-13,26H,1-2H3
InChIKeyAPFWKRQRISMBRA-UHFFFAOYSA-N
XLogP6.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.83
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 4704826
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
CID 4704846

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine (CID 18825997) is 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine is Cc1cc(C)cc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine?
The InChIKey is APFWKRQRISMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2O3S/c1-14-11-15(2)13-19(12-14)26-22-23(31(28,29)20-9-7-18(25)8-10-20)27-21(30-22)16-3-5-17(24)6-4-16/h3-13,26H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine?
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine has a molecular weight of 517.83 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).