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

C12H12FN3O4S — CID 7196374

IUPACN-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12FN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(13)6-9/h3-7,14H,1-2H3
InChIKeyKTNQUDLDGIDHRR-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.02
Rot. Bonds3

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

N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196374) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196374
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC NameN-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12FN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(13)6-9/h3-7,14H,1-2H3
InChIKeyKTNQUDLDGIDHRR-UHFFFAOYSA-N
XLogP0.02
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196374) is N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is KTNQUDLDGIDHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(13)6-9/h3-7,14H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).