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

C8H11BrFN3O2S — CID 146417032

IUPAC(3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
SMILESCC([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-/m0/s1
InChIKeyJPJUOQCTJJTZTM-DWHDZERNSA-N
MW312.16 g/mol
LogP1.10
Rot. Bonds3

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

(3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide (PubChem CID 146417032) has the molecular formula C8H11BrFN3O2S and a molecular weight of 312.16 g/mol. Its IUPAC name is (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
PubChem CID146417032
Molecular FormulaC8H11BrFN3O2S
Molecular Weight312.16 g/mol
Exact Mass310.97
IUPAC Name(3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
SMILESCC([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-/m0/s1
InChIKeyJPJUOQCTJJTZTM-DWHDZERNSA-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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Related Compounds

5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
(2S,3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134542369
(2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134541790
(2S)-3-(5-bromopyrimidin-2-yl)-N-[4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]-3-fluorobutane-2-sulfonamide
CID 175344357
3-(5-fluoro-2-pyridinyl)-3-hydroxybutane-2-sulfonamide
CID 155408916
(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
CID 134541723
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
(3R)-3-(5-bromopyrimidin-2-yl)-3-hydroxybutanenitrile
CID 176711312

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The IUPAC name of (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide (CID 146417032) is (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide.
What is the SMILES notation for (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The canonical SMILES for (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide is CC([C@](C)(F)c1ncc(Br)cn1)S(N)(=O)=O.
What is the InChIKey of (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
The InChIKey is JPJUOQCTJJTZTM-DWHDZERNSA-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-/m0/s1.
What are the key properties of (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide?
(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 (3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide is sourced from PubChem (CID 146417032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).