N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C23H24N6O3S — CID 122287454

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)n1
InChIInChI=1S/C23H24N6O3S/c1-15-13-22(29(3)4)27-23(24-15)26-18-7-9-19(10-8-18)28-33(30,31)20-11-5-17(6-12-20)21-14-32-16(2)25-21/h5-14,28H,1-4H3,(H,24,26,27)
InChIKeyYLOUENHJMPYXJA-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 122287454) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID122287454
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)n1
InChIInChI=1S/C23H24N6O3S/c1-15-13-22(29(3)4)27-23(24-15)26-18-7-9-19(10-8-18)28-33(30,31)20-11-5-17(6-12-20)21-14-32-16(2)25-21/h5-14,28H,1-4H3,(H,24,26,27)
InChIKeyYLOUENHJMPYXJA-UHFFFAOYSA-N
XLogP4.36
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 27510283
4-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122287467
3-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
CID 122287465
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
3-acetyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122287416
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122287451
3-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122287418
N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 46362638

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 122287454) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is YLOUENHJMPYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-15-13-22(29(3)4)27-23(24-15)26-18-7-9-19(10-8-18)28-33(30,31)20-11-5-17(6-12-20)21-14-32-16(2)25-21/h5-14,28H,1-4H3,(H,24,26,27).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 122287454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).