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

C17H13Cl3N2O3S — CID 2252467

IUPAC4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl3N2O3S/c1-22(2)17-16(26(23,24)12-6-3-10(18)4-7-12)21-15(25-17)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3
InChIKeyASKZNDKXIOLZQH-UHFFFAOYSA-N
MW431.73 g/mol
LogP5.20
Rot. Bonds4

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

4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 2252467) has the molecular formula C17H13Cl3N2O3S and a molecular weight of 431.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID2252467
Molecular FormulaC17H13Cl3N2O3S
Molecular Weight431.73 g/mol
Exact Mass429.97
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl3N2O3S/c1-22(2)17-16(26(23,24)12-6-3-10(18)4-7-12)21-15(25-17)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3
InChIKeyASKZNDKXIOLZQH-UHFFFAOYSA-N
XLogP5.20
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.73
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (CID 2252467) is 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is ASKZNDKXIOLZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3S/c1-22(2)17-16(26(23,24)12-6-3-10(18)4-7-12)21-15(25-17)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 431.73 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2252467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).