N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide

C14H13F2N5O2S — CID 135321179

IUPACN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Nc1ncc(C#N)cn1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N5O2S/c1-24(22,23)20-8-13(11-3-2-10(15)4-12(11)16)21-14-18-6-9(5-17)7-19-14/h2-4,6-7,13,20H,8H2,1H3,(H,18,19,21)
InChIKeyWNJTYFAWJJNSAD-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide

N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide (PubChem CID 135321179) has the molecular formula C14H13F2N5O2S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide
PubChem CID135321179
Molecular FormulaC14H13F2N5O2S
Molecular Weight353.35 g/mol
Exact Mass353.08
IUPAC NameN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Nc1ncc(C#N)cn1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N5O2S/c1-24(22,23)20-8-13(11-3-2-10(15)4-12(11)16)21-14-18-6-9(5-17)7-19-14/h2-4,6-7,13,20H,8H2,1H3,(H,18,19,21)
InChIKeyWNJTYFAWJJNSAD-UHFFFAOYSA-N
XLogP1.33
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5-cyanopyrimidin-2-yl)amino]-3-(4-fluorophenyl)propyl]methanesulfonamide
CID 135321281
2-[[1-(2,4-difluorophenyl)-2-ethenoxyethyl]amino]pyrimidine-5-carbonitrile
CID 135321208
2-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]pyrimidine-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 135321035
N-[(2S)-2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]methanesulfonamide
CID 146676723
N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
CID 122159677
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
CID 135321199
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
CID 91320280
6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60561259
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070
(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
CID 124628456
N-[1-(2,4-difluorophenyl)propyl]-6-methylpyrazin-2-amine
CID 133471598

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide (CID 135321179) is N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide is CS(=O)(=O)NCC(Nc1ncc(C#N)cn1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide?
The InChIKey is WNJTYFAWJJNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2S/c1-24(22,23)20-8-13(11-3-2-10(15)4-12(11)16)21-14-18-6-9(5-17)7-19-14/h2-4,6-7,13,20H,8H2,1H3,(H,18,19,21).
What are the key properties of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide?
N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(2,4-difluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 135321179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).