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

C14H16FN3O4S — CID 26545349

IUPACN-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H16FN3O4S/c1-17-9-12(13(19)18(2)14(17)20)23(21,22)16-7-6-10-4-3-5-11(15)8-10/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyQWRIVLMXHOCGEO-UHFFFAOYSA-N
MW341.36 g/mol
LogP-0.26
Rot. Bonds5

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

N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 26545349) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID26545349
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H16FN3O4S/c1-17-9-12(13(19)18(2)14(17)20)23(21,22)16-7-6-10-4-3-5-11(15)8-10/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyQWRIVLMXHOCGEO-UHFFFAOYSA-N
XLogP-0.26
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237
N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196374
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724736
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 26545349) is N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QWRIVLMXHOCGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-17-9-12(13(19)18(2)14(17)20)23(21,22)16-7-6-10-4-3-5-11(15)8-10/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 341.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 26545349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).