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

C21H14Cl2N2O3S — CID 18825648

IUPACN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2)oc1Nc1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c22-15-6-10-17(11-7-15)24-20-21(25-19(28-20)14-4-2-1-3-5-14)29(26,27)18-12-8-16(23)9-13-18/h1-13,24H
InChIKeyQHXKRLLRAJBXPV-UHFFFAOYSA-N
MW445.33 g/mol
LogP6.22
Rot. Bonds5

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

N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18825648) has the molecular formula C21H14Cl2N2O3S and a molecular weight of 445.33 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID18825648
Molecular FormulaC21H14Cl2N2O3S
Molecular Weight445.33 g/mol
Exact Mass444.01
IUPAC NameN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2)oc1Nc1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c22-15-6-10-17(11-7-15)24-20-21(25-19(28-20)14-4-2-1-3-5-14)29(26,27)18-12-8-16(23)9-13-18/h1-13,24H
InChIKeyQHXKRLLRAJBXPV-UHFFFAOYSA-N
XLogP6.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.33
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826891
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18825331
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826528
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)-1,3-oxazol-5-amine
CID 18825997
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 18826417
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18826529

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (CID 18825648) is N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2)oc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is QHXKRLLRAJBXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3S/c22-15-6-10-17(11-7-15)24-20-21(25-19(28-20)14-4-2-1-3-5-14)29(26,27)18-12-8-16(23)9-13-18/h1-13,24H.
What are the key properties of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 445.33 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).