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

C18H16ClN3O2S — CID 1488194

IUPAC5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2S/c1-22(2)18-20-12-16(25(23,24)13-8-4-3-5-9-13)17(21-18)14-10-6-7-11-15(14)19/h3-12H,1-2H3
InChIKeyIPRZUOHQZICTBK-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.70
Rot. Bonds4

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

5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 1488194) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID1488194
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2S/c1-22(2)18-20-12-16(25(23,24)13-8-4-3-5-9-13)17(21-18)14-10-6-7-11-15(14)19/h3-12H,1-2H3
InChIKeyIPRZUOHQZICTBK-UHFFFAOYSA-N
XLogP3.70
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.70
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-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 1488194) is 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is IPRZUOHQZICTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-22(2)18-20-12-16(25(23,24)13-8-4-3-5-9-13)17(21-18)14-10-6-7-11-15(14)19/h3-12H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
5-(benzenesulfonyl)-4-(2-chlorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 373.87 g/mol, XLogP of 3.70, 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-chlorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 1488194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).