N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide

C13H18F3N3O2S — CID 71797088

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2S/c1-8(2)22(20,21)17-6-5-12-18-10(9-3-4-9)7-11(19-12)13(14,15)16/h7-9,17H,3-6H2,1-2H3
InChIKeySICQGFKUDSSPDT-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.24
Rot. Bonds6

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide (PubChem CID 71797088) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide
PubChem CID71797088
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2S/c1-8(2)22(20,21)17-6-5-12-18-10(9-3-4-9)7-11(19-12)13(14,15)16/h7-9,17H,3-6H2,1-2H3
InChIKeySICQGFKUDSSPDT-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine
CID 25131544
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
(E)-N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-2-phenylethenesulfonamide
CID 71797091
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
4-Cyclopropyl-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine
CID 17024548
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclopropanesulfonamide
CID 71797009
2-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
CID 19621135
4-Cyclopropyl-6-(difluoromethyl)-2-(ethylsulfonyl)pyrimidine
CID 19621430
2-[4-Cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine
CID 19621441
4-Cyclopropyl-N-hexyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 44821338
2-[(4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]amino)ethanethiol
CID 45602164
4-Cyclopropyl-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine
CID 46941492

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide (CID 71797088) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide?
The InChIKey is SICQGFKUDSSPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-8(2)22(20,21)17-6-5-12-18-10(9-3-4-9)7-11(19-12)13(14,15)16/h7-9,17H,3-6H2,1-2H3.
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 71797088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).