N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide

C16H20ClN3O3S — CID 6737916

IUPACN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h6-9H,5,10H2,1-4H3
InChIKeySZIGISOAQOHJKJ-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.36
Rot. Bonds6

About N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide

N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide (PubChem CID 6737916) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
PubChem CID6737916
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h6-9H,5,10H2,1-4H3
InChIKeySZIGISOAQOHJKJ-UHFFFAOYSA-N
XLogP3.36
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide (CID 6737916) is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide is CCCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is SZIGISOAQOHJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h6-9H,5,10H2,1-4H3.
What are the key properties of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 6737916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).