4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

C23H24N6O3S — CID 121074202

IUPAC4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c(C)c1C
InChIInChI=1S/C23H24N6O3S/c1-15-16(2)21(10-9-20(15)32-4)33(30,31)28-19-7-5-18(6-8-19)27-22-13-23(26-14-25-22)29-12-11-24-17(29)3/h5-14,28H,1-4H3,(H,25,26,27)
InChIKeyXSSBBLLHSHEKGH-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.14
Rot. Bonds7

About 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (PubChem CID 121074202) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
PubChem CID121074202
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c(C)c1C
InChIInChI=1S/C23H24N6O3S/c1-15-16(2)21(10-9-20(15)32-4)33(30,31)28-19-7-5-18(6-8-19)27-22-13-23(26-14-25-22)29-12-11-24-17(29)3/h5-14,28H,1-4H3,(H,25,26,27)
InChIKeyXSSBBLLHSHEKGH-UHFFFAOYSA-N
XLogP4.14
TPSA111.03 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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970
2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074191
3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122291969
5-ethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122291945
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
2,4-dimethoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312584
1-(3-chloro-4-methoxyphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074298
N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 154829351
5-fluoro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312495
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122324173

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (CID 121074202) is 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is XSSBBLLHSHEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-15-16(2)21(10-9-20(15)32-4)33(30,31)28-19-7-5-18(6-8-19)27-22-13-23(26-14-25-22)29-12-11-24-17(29)3/h5-14,28H,1-4H3,(H,25,26,27).
What are the key properties of 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 121074202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).