2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide

C7H8ClF3N4O2S — CID 106767205

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N4O2S/c8-4-3-5(13-1-2-18(12,16)17)15-6(14-4)7(9,10)11/h3H,1-2H2,(H2,12,16,17)(H,13,14,15)
InChIKeyPXTCRXLODUQQDB-UHFFFAOYSA-N
MW304.68 g/mol
LogP0.85
Rot. Bonds4

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106767205) has the molecular formula C7H8ClF3N4O2S and a molecular weight of 304.68 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106767205
Molecular FormulaC7H8ClF3N4O2S
Molecular Weight304.68 g/mol
Exact Mass304.00
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N4O2S/c8-4-3-5(13-1-2-18(12,16)17)15-6(14-4)7(9,10)11/h3H,1-2H2,(H2,12,16,17)(H,13,14,15)
InChIKeyPXTCRXLODUQQDB-UHFFFAOYSA-N
XLogP0.85
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 178300085
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
CID 79098170
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 45502760
6-chloro-N4-(2,2-difluoroethyl)pyrimidine-2,4-diamine
CID 71925595
6-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80735499
6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 118559533
6-chloro-N-methyl-N-[(4-methylsulfonylthiomorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387323
6-chloro-N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387382
6-chloro-N-methyl-N-[(4-methylsulfonyl-1,1-dioxo-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387394
6-chloro-N-methyl-N-(thiomorpholin-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387430
6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62481119
6-chloro-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 63227596

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106767205) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is NS(=O)(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is PXTCRXLODUQQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4O2S/c8-4-3-5(13-1-2-18(12,16)17)15-6(14-4)7(9,10)11/h3H,1-2H2,(H2,12,16,17)(H,13,14,15).
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 304.68 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).