4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine

C22H17ClN2O3S — CID 18826529

IUPAC4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-15-11-13-16(14-12-15)24-21-22(29(26,27)17-7-3-2-4-8-17)25-20(28-21)18-9-5-6-10-19(18)23/h2-14,24H,1H3
InChIKeyBGJCBEZCFSKAQG-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.88
Rot. Bonds5

About 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18826529) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18826529
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-15-11-13-16(14-12-15)24-21-22(29(26,27)17-7-3-2-4-8-17)25-20(28-21)18-9-5-6-10-19(18)23/h2-14,24H,1H3
InChIKeyBGJCBEZCFSKAQG-UHFFFAOYSA-N
XLogP5.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (CID 18826529) is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(Nc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is BGJCBEZCFSKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-15-11-13-16(14-12-15)24-21-22(29(26,27)17-7-3-2-4-8-17)25-20(28-21)18-9-5-6-10-19(18)23/h2-14,24H,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 424.91 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).