2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine

C6H6ClF3N4O2S — CID 114813679

IUPAC2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccnc(Cl)n1
InChIInChI=1S/C6H6ClF3N4O2S/c7-5-11-2-1-4(13-5)14-17(15,16)12-3-6(8,9)10/h1-2,12H,3H2,(H,11,13,14)
InChIKeyBKFXVOUPYIQXIA-UHFFFAOYSA-N
MW290.65 g/mol
LogP0.94
Rot. Bonds4

About 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine

2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine (PubChem CID 114813679) has the molecular formula C6H6ClF3N4O2S and a molecular weight of 290.65 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
PubChem CID114813679
Molecular FormulaC6H6ClF3N4O2S
Molecular Weight290.65 g/mol
Exact Mass289.99
IUPAC Name2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccnc(Cl)n1
InChIInChI=1S/C6H6ClF3N4O2S/c7-5-11-2-1-4(13-5)14-17(15,16)12-3-6(8,9)10/h1-2,12H,3H2,(H,11,13,14)
InChIKeyBKFXVOUPYIQXIA-UHFFFAOYSA-N
XLogP0.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.65
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyridin-2-amine
CID 103094565
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
CID 114270033
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729
4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114808728
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
3,6-dichloro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 107049514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine (CID 114813679) is 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine is O=S(=O)(NCC(F)(F)F)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is BKFXVOUPYIQXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N4O2S/c7-5-11-2-1-4(13-5)14-17(15,16)12-3-6(8,9)10/h1-2,12H,3H2,(H,11,13,14).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine?
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 290.65 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 114813679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).