1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide

C22H24FN5O3S — CID 122326174

IUPAC1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H24FN5O3S/c1-16-14-21(26-22(24-16)28-10-12-31-13-11-28)25-19-6-8-20(9-7-19)27-32(29,30)15-17-2-4-18(23)5-3-17/h2-9,14,27H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyTZGVURYMPQZOID-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide

1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide (PubChem CID 122326174) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
PubChem CID122326174
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Name1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H24FN5O3S/c1-16-14-21(26-22(24-16)28-10-12-31-13-11-28)25-19-6-8-20(9-7-19)27-32(29,30)15-17-2-4-18(23)5-3-17/h2-9,14,27H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyTZGVURYMPQZOID-UHFFFAOYSA-N
XLogP3.45
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
CID 122325986
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122296026
1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 53048150
5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326162
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122324380
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
1-(4-fluorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 122287695
5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326160
1-(4-fluorophenyl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 122287947
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122326193
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide (CID 122326174) is 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide?
The InChIKey is TZGVURYMPQZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-16-14-21(26-22(24-16)28-10-12-31-13-11-28)25-19-6-8-20(9-7-19)27-32(29,30)15-17-2-4-18(23)5-3-17/h2-9,14,27H,10-13,15H2,1H3,(H,24,25,26).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide has a molecular weight of 457.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 122326174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).