2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

C23H24N6O2S — CID 121074191

IUPAC2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)cc1C
InChIInChI=1S/C23H24N6O2S/c1-15-11-17(3)21(12-16(15)2)32(30,31)28-20-7-5-19(6-8-20)27-22-13-23(26-14-25-22)29-10-9-24-18(29)4/h5-14,28H,1-4H3,(H,25,26,27)
InChIKeyHKYRTALPQQEMNB-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.44
Rot. Bonds6

About 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (PubChem CID 121074191) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
PubChem CID121074191
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)cc1C
InChIInChI=1S/C23H24N6O2S/c1-15-11-17(3)21(12-16(15)2)32(30,31)28-20-7-5-19(6-8-20)27-22-13-23(26-14-25-22)29-10-9-24-18(29)4/h5-14,28H,1-4H3,(H,25,26,27)
InChIKeyHKYRTALPQQEMNB-UHFFFAOYSA-N
XLogP4.44
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181
2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
4-methoxy-2,3-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074202
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970
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]-2-(trifluoromethoxy)benzenesulfonamide
CID 122291969
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 154829351
5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135373
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122291966
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (CID 121074191) is 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is HKYRTALPQQEMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-11-17(3)21(12-16(15)2)32(30,31)28-20-7-5-19(6-8-20)27-22-13-23(26-14-25-22)29-10-9-24-18(29)4/h5-14,28H,1-4H3,(H,25,26,27).
What are the key properties of 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 448.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 121074191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).