N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide

C7H10FN3O5S — CID 112599410

IUPACN-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O5S/c1-17(15,16)9-2-3-11-6(13)4(8)5(12)10-7(11)14/h9,13H,2-3H2,1H3,(H,10,12,14)
InChIKeyIDDHUAQKLLSLHD-UHFFFAOYSA-N
MW267.24 g/mol
LogP-2.07
Rot. Bonds4

About N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide

N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide (PubChem CID 112599410) has the molecular formula C7H10FN3O5S and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
PubChem CID112599410
Molecular FormulaC7H10FN3O5S
Molecular Weight267.24 g/mol
Exact Mass267.03
IUPAC NameN-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O5S/c1-17(15,16)9-2-3-11-6(13)4(8)5(12)10-7(11)14/h9,13H,2-3H2,1H3,(H,10,12,14)
InChIKeyIDDHUAQKLLSLHD-UHFFFAOYSA-N
XLogP-2.07
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide (CID 112599410) is N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is IDDHUAQKLLSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O5S/c1-17(15,16)9-2-3-11-6(13)4(8)5(12)10-7(11)14/h9,13H,2-3H2,1H3,(H,10,12,14).
What are the key properties of N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide?
N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 267.24 g/mol, XLogP of -2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 112599410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).