N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide

C8H8Cl2F3N3O2S — CID 114073642

IUPACN-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2F3N3O2S/c9-5-4-6(15-7(10)14-5)16-19(17,18)3-1-2-8(11,12)13/h4H,1-3H2,(H,14,15,16)
InChIKeyUFRUXCYENBNVGB-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.87
Rot. Bonds5

About N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114073642) has the molecular formula C8H8Cl2F3N3O2S and a molecular weight of 338.14 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114073642
Molecular FormulaC8H8Cl2F3N3O2S
Molecular Weight338.14 g/mol
Exact Mass336.97
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2F3N3O2S/c9-5-4-6(15-7(10)14-5)16-19(17,18)3-1-2-8(11,12)13/h4H,1-3H2,(H,14,15,16)
InChIKeyUFRUXCYENBNVGB-UHFFFAOYSA-N
XLogP2.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
N-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106341465
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341593
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
6-chloro-N-(1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767098
2-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106767205
6-chloro-N-(2-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767263
6-chloro-N-(3-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767559
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767578
6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767913
6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768061
6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768346

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114073642) is N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is UFRUXCYENBNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F3N3O2S/c9-5-4-6(15-7(10)14-5)16-19(17,18)3-1-2-8(11,12)13/h4H,1-3H2,(H,14,15,16).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 338.14 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloropyrimidin-4-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114073642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).