2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C22H23Cl2N5O3S — CID 122297485

IUPAC2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H23Cl2N5O3S/c1-14-11-20(19(24)12-18(14)23)33(30,31)28-17-5-3-16(4-6-17)27-21-13-22(26-15(2)25-21)29-7-9-32-10-8-29/h3-6,11-13,28H,7-10H2,1-2H3,(H,25,26,27)
InChIKeyUBZLIVHLKXESFG-UHFFFAOYSA-N
MW508.43 g/mol
LogP4.78
Rot. Bonds6

About 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 122297485) has the molecular formula C22H23Cl2N5O3S and a molecular weight of 508.43 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID122297485
Molecular FormulaC22H23Cl2N5O3S
Molecular Weight508.43 g/mol
Exact Mass507.09
IUPAC Name2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H23Cl2N5O3S/c1-14-11-20(19(24)12-18(14)23)33(30,31)28-17-5-3-16(4-6-17)27-21-13-22(26-15(2)25-21)29-7-9-32-10-8-29/h3-6,11-13,28H,7-10H2,1-2H3,(H,25,26,27)
InChIKeyUBZLIVHLKXESFG-UHFFFAOYSA-N
XLogP4.78
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 74225889
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 50753147
3,5-difluoro-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297492
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348823
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzenesulfonamide
CID 46268131
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122297508
2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475758
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 122297485) is 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is Cc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is UBZLIVHLKXESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O3S/c1-14-11-20(19(24)12-18(14)23)33(30,31)28-17-5-3-16(4-6-17)27-21-13-22(26-15(2)25-21)29-7-9-32-10-8-29/h3-6,11-13,28H,7-10H2,1-2H3,(H,25,26,27).
What are the key properties of 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 508.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122297485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).