(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C10H15F2N3O3S — CID 134532121

IUPAC(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCc1cnc([C@@H](OCC(F)F)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C10H15F2N3O3S/c1-6-3-14-10(15-4-6)9(18-5-8(11)12)7(2)19(13,16)17/h3-4,7-9H,5H2,1-2H3,(H2,13,16,17)/t7-,9-/m0/s1
InChIKeyDNQWVEJGRSBBHV-CBAPKCEASA-N
MW295.31 g/mol
LogP0.78
Rot. Bonds6

About (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 134532121) has the molecular formula C10H15F2N3O3S and a molecular weight of 295.31 g/mol. Its IUPAC name is (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
PubChem CID134532121
Molecular FormulaC10H15F2N3O3S
Molecular Weight295.31 g/mol
Exact Mass295.08
IUPAC Name(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCc1cnc([C@@H](OCC(F)F)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C10H15F2N3O3S/c1-6-3-14-10(15-4-6)9(18-5-8(11)12)7(2)19(13,16)17/h3-4,7-9H,5H2,1-2H3,(H2,13,16,17)/t7-,9-/m0/s1
InChIKeyDNQWVEJGRSBBHV-CBAPKCEASA-N
XLogP0.78
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10221162, Example 737.0
CID 122701984
5-Fluoro-2-((1-((3,3,3-trifluoropropyl)sulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 121017668
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122701438
(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 122701611
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
1-(5-Fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702643
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 126553352
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide
CID 126592599
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 126603103
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 132086666
1-(5-Fluoropyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 132086667
1-(2,2-Difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfinamide
CID 134532122

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 134532121) is (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is Cc1cnc([C@@H](OCC(F)F)[C@H](C)S(N)(=O)=O)nc1.
What is the InChIKey of (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is DNQWVEJGRSBBHV-CBAPKCEASA-N. The full InChI is InChI=1S/C10H15F2N3O3S/c1-6-3-14-10(15-4-6)9(18-5-8(11)12)7(2)19(13,16)17/h3-4,7-9H,5H2,1-2H3,(H2,13,16,17)/t7-,9-/m0/s1.
What are the key properties of (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 134532121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).