N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide

C21H21ClN4O3S — CID 69161181

IUPACN-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O3S/c22-17-6-8-18(9-7-17)25-30(27,28)15-19-14-20(26-10-12-29-13-11-26)24-21(23-19)16-4-2-1-3-5-16/h1-9,14,25H,10-13,15H2
InChIKeySYZXCXLRNMEJGZ-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.58
Rot. Bonds6

About N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide

N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide (PubChem CID 69161181) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide
PubChem CID69161181
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC NameN-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O3S/c22-17-6-8-18(9-7-17)25-30(27,28)15-19-14-20(26-10-12-29-13-11-26)24-21(23-19)16-4-2-1-3-5-16/h1-9,14,25H,10-13,15H2
InChIKeySYZXCXLRNMEJGZ-UHFFFAOYSA-N
XLogP3.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide (CID 69161181) is N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide is O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide?
The InChIKey is SYZXCXLRNMEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c22-17-6-8-18(9-7-17)25-30(27,28)15-19-14-20(26-10-12-29-13-11-26)24-21(23-19)16-4-2-1-3-5-16/h1-9,14,25H,10-13,15H2.
What are the key properties of N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide?
N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide has a molecular weight of 444.94 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide is sourced from PubChem (CID 69161181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).