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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Related Compounds

US10058550, Example 676.0
CID 122701357
4-Aminopyrimidine-5-sulfonamide
CID 129709064
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 164640661
5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine
CID 21077606
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] methanesulfonate
CID 57818847
(4-Amino-5-fluoropyrimidin-2-yl) methanesulfonate
CID 57819154
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
CID 66623762
5-fluoro-N-methyl-4-(methylamino)pyrimidine-2-sulfonamide
CID 69832466
2-Chloro-5-fluoro-N-propylpyrimidin-4-amine
CID 79080799

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).