N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide

C18H24FN5O2S — CID 122320338

IUPACN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H24FN5O2S/c1-23(2)17-16(12-20-18(21-17)24-10-6-3-7-11-24)22-27(25,26)13-14-8-4-5-9-15(14)19/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3
InChIKeyGLJWRKRBVURYBF-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.61
Rot. Bonds6

About N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 122320338) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID122320338
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H24FN5O2S/c1-23(2)17-16(12-20-18(21-17)24-10-6-3-7-11-24)22-27(25,26)13-14-8-4-5-9-15(14)19/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3
InChIKeyGLJWRKRBVURYBF-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122320340
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
CID 122320320
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 122320581
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-nitrobenzenesulfonamide
CID 122320379
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195
1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
CID 122299903
3-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-methylbenzenesulfonamide
CID 122320356
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122320087
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide (CID 122320338) is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide is CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is GLJWRKRBVURYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-23(2)17-16(12-20-18(21-17)24-10-6-3-7-11-24)22-27(25,26)13-14-8-4-5-9-15(14)19/h4-5,8-9,12,22H,3,6-7,10-11,13H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide?
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 122320338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).