4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine

C16H11Cl2N3O2S — CID 1475305

IUPAC4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21)
InChIKeyFEPFZAXWXDKZDG-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.87
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine

4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine (PubChem CID 1475305) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
PubChem CID1475305
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21)
InChIKeyFEPFZAXWXDKZDG-UHFFFAOYSA-N
XLogP3.87
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
5-(4-chlorophenyl)sulfonylpyridin-2-amine
CID 117032151
5-tert-butylsulfonyl-2-(4-chlorophenyl)pyrimidin-4-amine
CID 546665
4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
CID 56923453
5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
CID 87904343
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine
CID 59159487
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
CID 142783722
4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
CID 25169197
5-(4-chlorophenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334565
5-(benzenesulfonyl)-4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine
CID 3776419
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
CID 141132955

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine (CID 1475305) is 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine is Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The InChIKey is FEPFZAXWXDKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21).
What are the key properties of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine has a molecular weight of 380.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 1475305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).