N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C21H23N5O3S — CID 53048150

IUPACN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3S/c1-16-15-20(24-21(22-16)26-11-13-29-14-12-26)23-17-7-9-18(10-8-17)25-30(27,28)19-5-3-2-4-6-19/h2-10,15,25H,11-14H2,1H3,(H,22,23,24)
InChIKeyVBYIZACBCWTKGB-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.17
Rot. Bonds6

About N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 53048150) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID53048150
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3S/c1-16-15-20(24-21(22-16)26-11-13-29-14-12-26)23-17-7-9-18(10-8-17)25-30(27,28)19-5-3-2-4-6-19/h2-10,15,25H,11-14H2,1H3,(H,22,23,24)
InChIKeyVBYIZACBCWTKGB-UHFFFAOYSA-N
XLogP3.17
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122326167
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
CID 122325986
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122326193
5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326160
5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326162
1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122326174
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122295787
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 53048150) is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is VBYIZACBCWTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-16-15-20(24-21(22-16)26-11-13-29-14-12-26)23-17-7-9-18(10-8-17)25-30(27,28)19-5-3-2-4-6-19/h2-10,15,25H,11-14H2,1H3,(H,22,23,24).
What are the key properties of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 53048150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).