4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C21H24N4O4S — CID 42474850

IUPAC4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc(C)n1
InChIInChI=1S/C21H24N4O4S/c1-4-13-29-21-14-20(22-15(2)23-21)24-16-5-7-17(8-6-16)25-30(26,27)19-11-9-18(28-3)10-12-19/h5-12,14,25H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyLXRHOLDMPPRXKB-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.13
Rot. Bonds9

About 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide

4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 42474850) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID42474850
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc(C)n1
InChIInChI=1S/C21H24N4O4S/c1-4-13-29-21-14-20(22-15(2)23-21)24-16-5-7-17(8-6-16)25-30(26,27)19-11-9-18(28-3)10-12-19/h5-12,14,25H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyLXRHOLDMPPRXKB-UHFFFAOYSA-N
XLogP4.13
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474856
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474846
3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474858
4-butoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297616
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 42474727
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
3-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474827
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 42474850) is 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide is CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc(C)n1.
What is the InChIKey of 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is LXRHOLDMPPRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-4-13-29-21-14-20(22-15(2)23-21)24-16-5-7-17(8-6-16)25-30(26,27)19-11-9-18(28-3)10-12-19/h5-12,14,25H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 42474850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).