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

C7H10FN3O3S — CID 134541723

IUPAC(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
SMILESC[C@@](O)(CS(N)(=O)=O)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3O3S/c1-7(12,4-15(9,13)14)6-10-2-5(8)3-11-6/h2-3,12H,4H2,1H3,(H2,9,13,14)/t7-/m1/s1
InChIKeyBZSYWDMRVRNWKD-SSDOTTSWSA-N
MW235.24 g/mol
LogP-0.89
Rot. Bonds3

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

(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide (PubChem CID 134541723) has the molecular formula C7H10FN3O3S and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
PubChem CID134541723
Molecular FormulaC7H10FN3O3S
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
SMILESC[C@@](O)(CS(N)(=O)=O)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3O3S/c1-7(12,4-15(9,13)14)6-10-2-5(8)3-11-6/h2-3,12H,4H2,1H3,(H2,9,13,14)/t7-/m1/s1
InChIKeyBZSYWDMRVRNWKD-SSDOTTSWSA-N
XLogP-0.89
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 ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?
The IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide (CID 134541723) is (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?
The canonical SMILES for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide is C[C@@](O)(CS(N)(=O)=O)c1ncc(F)cn1.
What is the InChIKey of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?
The InChIKey is BZSYWDMRVRNWKD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10FN3O3S/c1-7(12,4-15(9,13)14)6-10-2-5(8)3-11-6/h2-3,12H,4H2,1H3,(H2,9,13,14)/t7-/m1/s1.
What are the key properties of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?
(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide has a molecular weight of 235.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 134541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).