2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide

C20H22N4O3S — CID 141094870

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(S(N)(=O)=O)c(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C20H22N4O3S/c1-13-10-14(2)24-20(23-13)17-11-16(8-9-19(17)28(21,25)26)22-12-15-6-4-5-7-18(15)27-3/h4-11,22H,12H2,1-3H3,(H2,21,25,26)
InChIKeyUTSSICPTSSSQPG-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.03
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide

2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 141094870) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID141094870
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(S(N)(=O)=O)c(-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C20H22N4O3S/c1-13-10-14(2)24-20(23-13)17-11-16(8-9-19(17)28(21,25)26)22-12-15-6-4-5-7-18(15)27-3/h4-11,22H,12H2,1-3H3,(H2,21,25,26)
InChIKeyUTSSICPTSSSQPG-UHFFFAOYSA-N
XLogP3.03
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
CID 43823713
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
N-[(2-methoxyphenyl)methyl]-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 10236941
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide
CID 126806500
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea
CID 160940829

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide (CID 141094870) is 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide is COc1ccccc1CNc1ccc(S(N)(=O)=O)c(-c2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is UTSSICPTSSSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-10-14(2)24-20(23-13)17-11-16(8-9-19(17)28(21,25)26)22-12-15-6-4-5-7-18(15)27-3/h4-11,22H,12H2,1-3H3,(H2,21,25,26).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide?
2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 141094870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).