N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C9H13F2N3O5S — CID 104858889

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C9H13F2N3O5S/c1-13-3-6(7(16)14(2)8(13)17)20(18,19)12-4-9(10,11)5-15/h3,12,15H,4-5H2,1-2H3
InChIKeyFZVSDIUSRBRZJN-UHFFFAOYSA-N
MW313.28 g/mol
LogP-2.01
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 104858889) has the molecular formula C9H13F2N3O5S and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID104858889
Molecular FormulaC9H13F2N3O5S
Molecular Weight313.28 g/mol
Exact Mass313.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C9H13F2N3O5S/c1-13-3-6(7(16)14(2)8(13)17)20(18,19)12-4-9(10,11)5-15/h3,12,15H,4-5H2,1-2H3
InChIKeyFZVSDIUSRBRZJN-UHFFFAOYSA-N
XLogP-2.01
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,2,2-Trifluoroethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
CID 47121775
2,4-Dioxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-5-sulfonamide
CID 81337124
1,3-dimethyl-2,4-dioxo-N-(2,2,2-trifluoroethoxy)pyrimidine-5-sulfonamide
CID 82714577
1,3-dimethyl-2,4-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-5-sulfonamide
CID 103834031
N-(3,3-difluoro-2-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103836826
2,4-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-sulfonamide
CID 105649283
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107483673
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 107483680
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-sulfonamide
CID 107483820
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 114094040
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 114153409
N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 114383959

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 104858889) is N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCC(F)(F)CO)c(=O)n(C)c1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is FZVSDIUSRBRZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O5S/c1-13-3-6(7(16)14(2)8(13)17)20(18,19)12-4-9(10,11)5-15/h3,12,15H,4-5H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 313.28 g/mol, XLogP of -2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 104858889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).