(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide

C8H11BrFN3O2S — CID 122702096

IUPAC(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
SMILESC[C@H]([C@](C)(F)c1ncc(Br)cn1)S(N)(=O)=O
InChIInChI=1S/C8H11BrFN3O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,1-2H3,(H2,11,14,15)/t5-,8+/m1/s1
InChIKeyJPJUOQCTJJTZTM-XRGYYRRGSA-N
MW312.16 g/mol
LogP1.10
Rot. Bonds3

About (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide

(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide (PubChem CID 122702096) has the molecular formula C8H11BrFN3O2S and a molecular weight of 312.16 g/mol. Its IUPAC name is (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide.

Molecular Properties

Compound Name(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
PubChem CID122702096
Molecular FormulaC8H11BrFN3O2S
Molecular Weight312.16 g/mol
Exact Mass310.97
IUPAC Name(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
SMILESC[C@H]([C@](C)(F)c1ncc(Br)cn1)S(N)(=O)=O
InChIInChI=1S/C8H11BrFN3O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,1-2H3,(H2,11,14,15)/t5-,8+/m1/s1
InChIKeyJPJUOQCTJJTZTM-XRGYYRRGSA-N
XLogP1.10
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The IUPAC name of (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide (CID 122702096) is (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide.
What is the SMILES notation for (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The canonical SMILES for (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide is C[C@H]([C@](C)(F)c1ncc(Br)cn1)S(N)(=O)=O.
What is the InChIKey of (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The InChIKey is JPJUOQCTJJTZTM-XRGYYRRGSA-N. The full InChI is InChI=1S/C8H11BrFN3O2S/c1-5(16(11,14)15)8(2,10)7-12-3-6(9)4-13-7/h3-5H,1-2H3,(H2,11,14,15)/t5-,8+/m1/s1.
What are the key properties of (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide is sourced from PubChem (CID 122702096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).