1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide

C17H21FN4O2S — CID 122299903

IUPAC1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3
InChIKeyVHOANTLMTCZIIC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide

1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide (PubChem CID 122299903) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
PubChem CID122299903
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3
InChIKeyVHOANTLMTCZIIC-UHFFFAOYSA-N
XLogP2.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

BRD4-Kinases-IN-3
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
4-(1-Pyrimidin-5-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145952940
US10450297, Example 356
CID 57584535
US10450297, Example 352
CID 57584751
US10450297, Example 70
CID 57584809
2,4-difluoro-N-[2-methyl-5-[2-[4-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-5-yl]ethynyl]-3-pyridinyl]benzenesulfonamide
CID 60142579
N-[5-[2-[4-(dimethylamino)-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 60142848
N-(4-(2-(4-(piperidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 46882471
N-(4-(2-(3-((4-methylpiperazin-1-yl)methyl)phenylamino)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 46882542
N-(4-(2-(4-((4-methylpiperazin-1-yl)methyl)phenylamino)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 46882589

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide (CID 122299903) is 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide is CC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The InChIKey is VHOANTLMTCZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide is sourced from PubChem (CID 122299903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).