2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

C15H19ClN4O2S — CID 133319865

IUPAC2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(Cl)nc(C)nc1NCc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H19ClN4O2S/c1-4-12-14(16)19-10(2)20-15(12)18-9-11-7-5-6-8-13(11)23(21,22)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyBTHSYFBZSCIEDI-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.52
Rot. Bonds6

About 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 133319865) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
PubChem CID133319865
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(Cl)nc(C)nc1NCc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H19ClN4O2S/c1-4-12-14(16)19-10(2)20-15(12)18-9-11-7-5-6-8-13(11)23(21,22)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyBTHSYFBZSCIEDI-UHFFFAOYSA-N
XLogP2.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (CID 133319865) is 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is CCc1c(Cl)nc(C)nc1NCc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is BTHSYFBZSCIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-4-12-14(16)19-10(2)20-15(12)18-9-11-7-5-6-8-13(11)23(21,22)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133319865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).