N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide

C16H20F3N5O2S — CID 70703973

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O2S/c1-3-20-15-23-11(2)10-14(24-15)21-8-9-22-27(25,26)13-7-5-4-6-12(13)16(17,18)19/h4-7,10,22H,3,8-9H2,1-2H3,(H2,20,21,23,24)
InChIKeyAZTSLKSTARFFDC-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.63
Rot. Bonds8

About N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 70703973) has the molecular formula C16H20F3N5O2S and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID70703973
Molecular FormulaC16H20F3N5O2S
Molecular Weight403.43 g/mol
Exact Mass403.13
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O2S/c1-3-20-15-23-11(2)10-14(24-15)21-8-9-22-27(25,26)13-7-5-4-6-12(13)16(17,18)19/h4-7,10,22H,3,8-9H2,1-2H3,(H2,20,21,23,24)
InChIKeyAZTSLKSTARFFDC-UHFFFAOYSA-N
XLogP2.63
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122324764
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325341
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569
(E)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-phenylethenesulfonamide
CID 122325531
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-difluorobenzenesulfonamide
CID 122324741
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122324769
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
1-(4-chlorophenyl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122325548
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122324529

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 70703973) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide is CCNc1nc(C)cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AZTSLKSTARFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2S/c1-3-20-15-23-11(2)10-14(24-15)21-8-9-22-27(25,26)13-7-5-4-6-12(13)16(17,18)19/h4-7,10,22H,3,8-9H2,1-2H3,(H2,20,21,23,24).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70703973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).