N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H15F2N3O4S — CID 31818327

IUPACN-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15F2N3O4S/c1-17-8-12(13(20)19(3)14(17)21)24(22,23)18(2)7-9-4-5-10(15)6-11(9)16/h4-6,8H,7H2,1-3H3
InChIKeyCUCDHQWYWVLIKV-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.18
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 31818327) has the molecular formula C14H15F2N3O4S and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID31818327
Molecular FormulaC14H15F2N3O4S
Molecular Weight359.35 g/mol
Exact Mass359.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15F2N3O4S/c1-17-8-12(13(20)19(3)14(17)21)24(22,23)18(2)7-9-4-5-10(15)6-11(9)16/h4-6,8H,7H2,1-3H3
InChIKeyCUCDHQWYWVLIKV-UHFFFAOYSA-N
XLogP0.18
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 866267
1,3-dimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196408
N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3,6-trimethyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196430
1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
CID 563429
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 5310444
6-amino-1,3-dimethyl-2,4-dioxo-N-(1-phenylethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16801242
4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
CID 7197662
N-benzyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 7543058
5-Methyl-1-(4-fluoro-benzyl)-1H-pyrimidine-2,4-dione
CID 5276660
1-[(3-Fluorophenyl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 5276661
1-[(3,4-Difluorophenyl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 5276662

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 31818327) is N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CN(Cc1ccc(F)cc1F)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is CUCDHQWYWVLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4S/c1-17-8-12(13(20)19(3)14(17)21)24(22,23)18(2)7-9-4-5-10(15)6-11(9)16/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 359.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 31818327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).