2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C19H20N4O4S — CID 108781559

IUPAC2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)ncn3)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-13-10-19(21-12-20-13)22-14-4-6-15(7-5-14)23-28(24,25)18-11-16(26-2)8-9-17(18)27-3/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyZSUPGXNUZHRBJN-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.35
Rot. Bonds7

About 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 108781559) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID108781559
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)ncn3)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-13-10-19(21-12-20-13)22-14-4-6-15(7-5-14)23-28(24,25)18-11-16(26-2)8-9-17(18)27-3/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyZSUPGXNUZHRBJN-UHFFFAOYSA-N
XLogP3.35
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781556
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
5-fluoro-2-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316490
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 108781559) is 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3cc(C)ncn3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is ZSUPGXNUZHRBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-10-19(21-12-20-13)22-14-4-6-15(7-5-14)23-28(24,25)18-11-16(26-2)8-9-17(18)27-3/h4-12,23H,1-3H3,(H,20,21,22).
What are the key properties of 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 108781559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).