5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine

C18H15Cl2N3O2S — CID 1488211

IUPAC5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H15Cl2N3O2S/c1-23(2)18-21-11-16(26(24,25)13-6-4-3-5-7-13)17(22-18)14-9-8-12(19)10-15(14)20/h3-11H,1-2H3
InChIKeyXJIILUDROTYKRH-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.35
Rot. Bonds4

About 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine

5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 1488211) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID1488211
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H15Cl2N3O2S/c1-23(2)18-21-11-16(26(24,25)13-6-4-3-5-7-13)17(22-18)14-9-8-12(19)10-15(14)20/h3-11H,1-2H3
InChIKeyXJIILUDROTYKRH-UHFFFAOYSA-N
XLogP4.35
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 1488211) is 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is XJIILUDROTYKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-23(2)18-21-11-16(26(24,25)13-6-4-3-5-7-13)17(22-18)14-9-8-12(19)10-15(14)20/h3-11H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine?
5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 408.31 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 1488211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).