(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide

C7H10FN3O3S — CID 126603103

IUPAC(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@H]([C@@H](O)c1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C7H10FN3O3S/c1-4(15(9,13)14)6(12)7-10-2-5(8)3-11-7/h2-4,6,12H,1H3,(H2,9,13,14)/t4-,6-/m1/s1
InChIKeyJZHIYWQLOUQFOM-INEUFUBQSA-N
MW235.24 g/mol
LogP-0.67
Rot. Bonds3

About (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide

(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide (PubChem CID 126603103) has the molecular formula C7H10FN3O3S and a molecular weight of 235.24 g/mol. Its IUPAC name is (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
PubChem CID126603103
Molecular FormulaC7H10FN3O3S
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@H]([C@@H](O)c1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C7H10FN3O3S/c1-4(15(9,13)14)6(12)7-10-2-5(8)3-11-7/h2-4,6,12H,1H3,(H2,9,13,14)/t4-,6-/m1/s1
InChIKeyJZHIYWQLOUQFOM-INEUFUBQSA-N
XLogP-0.67
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide (CID 126603103) is (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide is C[C@H]([C@@H](O)c1ncc(F)cn1)S(N)(=O)=O.
What is the InChIKey of (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is JZHIYWQLOUQFOM-INEUFUBQSA-N. The full InChI is InChI=1S/C7H10FN3O3S/c1-4(15(9,13)14)6(12)7-10-2-5(8)3-11-7/h2-4,6,12H,1H3,(H2,9,13,14)/t4-,6-/m1/s1.
What are the key properties of (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide?
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 235.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 126603103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).