1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide

C19H18ClN3O3S — CID 56653353

IUPAC1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C
InChIInChI=1S/C19H18ClN3O3S/c1-13-18(10-21-12-22-13)17-8-7-16(9-19(17)26-2)23-27(24,25)11-14-3-5-15(20)6-4-14/h3-10,12,23H,11H2,1-2H3
InChIKeyODLUEMGJIAZXKN-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide

1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide (PubChem CID 56653353) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide
PubChem CID56653353
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C
InChIInChI=1S/C19H18ClN3O3S/c1-13-18(10-21-12-22-13)17-8-7-16(9-19(17)26-2)23-27(24,25)11-14-3-5-15(20)6-4-14/h3-10,12,23H,11H2,1-2H3
InChIKeyODLUEMGJIAZXKN-UHFFFAOYSA-N
XLogP4.06
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide (CID 56653353) is 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide is COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide?
The InChIKey is ODLUEMGJIAZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-13-18(10-21-12-22-13)17-8-7-16(9-19(17)26-2)23-27(24,25)11-14-3-5-15(20)6-4-14/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 56653353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).