2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide

C6H8ClFN4O2S — CID 79080717

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C6H8ClFN4O2S/c7-6-11-3-4(8)5(12-6)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeySIGZABHMYXDTBZ-UHFFFAOYSA-N
MW254.67 g/mol
LogP-0.03
Rot. Bonds4

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 79080717) has the molecular formula C6H8ClFN4O2S and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID79080717
Molecular FormulaC6H8ClFN4O2S
Molecular Weight254.67 g/mol
Exact Mass254.00
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C6H8ClFN4O2S/c7-6-11-3-4(8)5(12-6)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeySIGZABHMYXDTBZ-UHFFFAOYSA-N
XLogP-0.03
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide (CID 79080717) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is SIGZABHMYXDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4O2S/c7-6-11-3-4(8)5(12-6)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 254.67 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 79080717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).