(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide

C7H10FN3O2S — CID 122701717

IUPAC(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
SMILESC[C@H](Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C7H10FN3O2S/c1-5(14(9,12)13)2-7-10-3-6(8)4-11-7/h3-5H,2H2,1H3,(H2,9,12,13)/t5-/m1/s1
InChIKeyPTDJNJXUDDVHMK-RXMQYKEDSA-N
MW219.24 g/mol
LogP-0.16
Rot. Bonds3

About (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide

(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 122701717) has the molecular formula C7H10FN3O2S and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
PubChem CID122701717
Molecular FormulaC7H10FN3O2S
Molecular Weight219.24 g/mol
Exact Mass219.05
IUPAC Name(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
SMILESC[C@H](Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C7H10FN3O2S/c1-5(14(9,12)13)2-7-10-3-6(8)4-11-7/h3-5H,2H2,1H3,(H2,9,12,13)/t5-/m1/s1
InChIKeyPTDJNJXUDDVHMK-RXMQYKEDSA-N
XLogP-0.16
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10058550, Example 313.0
CID 122701338
(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
US10058550, Example 676.0
CID 122701357
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
2-Fluoropyrimidine-5-sulfonamide
CID 17804387
4-Fluoro-2-methyl-5-methylsulfonylpyrimidine
CID 17804395
5-Fluoropyrimidine-2-carbothialdehyde
CID 54332900
(5-Fluoropyrimidin-2-yl)methanethiol
CID 57179708
[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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide (CID 122701717) is (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide is C[C@H](Cc1ncc(F)cn1)S(N)(=O)=O.
What is the InChIKey of (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is PTDJNJXUDDVHMK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10FN3O2S/c1-5(14(9,12)13)2-7-10-3-6(8)4-11-7/h3-5H,2H2,1H3,(H2,9,12,13)/t5-/m1/s1.
What are the key properties of (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 219.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122701717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).