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

C18H14Cl2N2O3S — CID 18826640

IUPAC2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2
InChIKeyXTFSUXSEASMXML-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.08
Rot. Bonds6

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

2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 18826640) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID18826640
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2
InChIKeyXTFSUXSEASMXML-UHFFFAOYSA-N
XLogP5.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826829
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826635
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 2964752
N-butyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826859
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826024
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18825810
N-[4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 18826694
N-[2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 2219681
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826528

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (CID 18826640) is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is XTFSUXSEASMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2.
What are the key properties of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 409.29 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).