N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide

C19H20N4O3S — CID 42474707

IUPACN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1cc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1
InChIInChI=1S/C19H20N4O3S/c1-13-5-4-6-17(11-13)27(24,25)23-16-9-7-15(8-10-16)22-18-12-19(26-3)21-14(2)20-18/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyWDCJEVJKSUVURC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.65
Rot. Bonds6

About N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide

N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide (PubChem CID 42474707) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide
PubChem CID42474707
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1cc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1
InChIInChI=1S/C19H20N4O3S/c1-13-5-4-6-17(11-13)27(24,25)23-16-9-7-15(8-10-16)22-18-12-19(26-3)21-14(2)20-18/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyWDCJEVJKSUVURC-UHFFFAOYSA-N
XLogP3.65
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide (CID 42474707) is N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide is COc1cc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is WDCJEVJKSUVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-5-4-6-17(11-13)27(24,25)23-16-9-7-15(8-10-16)22-18-12-19(26-3)21-14(2)20-18/h4-12,23H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide?
N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 42474707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).