4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide

C24H29FN6O2S — CID 72815568

IUPAC4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide
SMILESCNc1cc(-c2cccnc2)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C24H29FN6O2S/c1-26-23-13-22(19-3-2-12-27-16-19)30-24(31-23)28-14-17-4-6-18(7-5-17)15-29-34(32,33)21-10-8-20(25)9-11-21/h2-3,8-13,16-18,29H,4-7,14-15H2,1H3,(H2,26,28,30,31)
InChIKeyYJVNBZPANGMZNC-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.92
Rot. Bonds9

About 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide

4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide (PubChem CID 72815568) has the molecular formula C24H29FN6O2S and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide
PubChem CID72815568
Molecular FormulaC24H29FN6O2S
Molecular Weight484.60 g/mol
Exact Mass484.21
IUPAC Name4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide
SMILESCNc1cc(-c2cccnc2)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C24H29FN6O2S/c1-26-23-13-22(19-3-2-12-27-16-19)30-24(31-23)28-14-17-4-6-18(7-5-17)15-29-34(32,33)21-10-8-20(25)9-11-21/h2-3,8-13,16-18,29H,4-7,14-15H2,1H3,(H2,26,28,30,31)
InChIKeyYJVNBZPANGMZNC-UHFFFAOYSA-N
XLogP3.92
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

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CID 57584772
(3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16058650
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CID 86277915
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CID 124081170
N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
CID 149370917
N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
CID 149619121

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide (CID 72815568) is 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide is CNc1cc(-c2cccnc2)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is YJVNBZPANGMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2S/c1-26-23-13-22(19-3-2-12-27-16-19)30-24(31-23)28-14-17-4-6-18(7-5-17)15-29-34(32,33)21-10-8-20(25)9-11-21/h2-3,8-13,16-18,29H,4-7,14-15H2,1H3,(H2,26,28,30,31).
What are the key properties of 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 484.60 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[[[4-(methylamino)-6-pyridin-3-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 72815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).