1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea

C14H15FN4O5S — CID 172705060

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CF)n1
InChIInChI=1S/C14H15FN4O5S/c1-23-11-7-12(24-2)17-13(16-11)18-14(20)19-25(21,22)10-6-4-3-5-9(10)8-15/h3-7H,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDLXFPGUHLMFGKH-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.47
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea (PubChem CID 172705060) has the molecular formula C14H15FN4O5S and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea
PubChem CID172705060
Molecular FormulaC14H15FN4O5S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CF)n1
InChIInChI=1S/C14H15FN4O5S/c1-23-11-7-12(24-2)17-13(16-11)18-14(20)19-25(21,22)10-6-4-3-5-9(10)8-15/h3-7H,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDLXFPGUHLMFGKH-UHFFFAOYSA-N
XLogP1.47
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Primisulfuron-methyl
CID 101525
1-(2-Chlorophenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 1973958
N-(4,6-dimethoxy-2-pyrimidinyl)-2-(phenylsulfonyl)acetamide
CID 940979
1-(4,6-Dimethoxypyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 1262951
N-Cyclopropylmethyl-4-(4,6-dimethoxy-pyrimidin-2-ylamino)-2-trifluoromethyl-benzenesulfonamide
CID 24948181
4''-Isobutyl-biphenyl-2-sulfonic acid (4,6-dimethoxy-pyrimidin-2-yl)-amide
CID 10526510
Methyl 2-[[4,6-bis(fluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
CID 508376
1-(4,6-Dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea
CID 3610454
N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71795763
N-[(4,6-Dimethoxypyrimidin-2-yl)aminocarbonyl]-2-methoxycarbonylbenzenesulfonamide
CID 10810737
4-(difluoromethyl)-N-(2,6-dimethoxypyrimidin-4-yl)-N-methylbenzenesulfonamide
CID 124201585
1-[4-(Difluoromethoxy)-6-methylpyrimidin-2-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylurea
CID 139185383

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea (CID 172705060) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CF)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea?
The InChIKey is DLXFPGUHLMFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O5S/c1-23-11-7-12(24-2)17-13(16-11)18-14(20)19-25(21,22)10-6-4-3-5-9(10)8-15/h3-7H,8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea has a molecular weight of 370.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(fluoromethyl)phenyl]sulfonylurea is sourced from PubChem (CID 172705060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).