N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

C20H26F3N5O2S — CID 11503485

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H26F3N5O2S/c1-4-27-9-11-28(12-10-27)19-24-13-17(18(25-19)20(21,22)23)26-31(29,30)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,26H,4,9-12H2,1-3H3
InChIKeyGSWZLALYRNURIK-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 11503485) has the molecular formula C20H26F3N5O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID11503485
Molecular FormulaC20H26F3N5O2S
Molecular Weight457.52 g/mol
Exact Mass457.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H26F3N5O2S/c1-4-27-9-11-28(12-10-27)19-24-13-17(18(25-19)20(21,22)23)26-31(29,30)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,26H,4,9-12H2,1-3H3
InChIKeyGSWZLALYRNURIK-UHFFFAOYSA-N
XLogP3.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 11532338
N-[4-methyl-6-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69146073
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
2-[4-(2-methylpropyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
CID 53490628
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
ethyl 2-[4-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]piperazin-1-yl]acetate
CID 53490630
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
N-(7-ethyl-2-methoxy-5-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 130246278
5-(4-ethylpiperazin-1-yl)-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057807

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 11503485) is N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is CCN1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is GSWZLALYRNURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O2S/c1-4-27-9-11-28(12-10-27)19-24-13-17(18(25-19)20(21,22)23)26-31(29,30)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,26H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 457.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11503485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).