1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea

C13H11ClF2N4O4S — CID 88698795

IUPAC1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea
SMILESCc1cc(Cl)nc(N(C(N)=O)S(=O)(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C13H11ClF2N4O4S/c1-7-6-10(14)19-13(18-7)20(12(17)21)25(22,23)9-5-3-2-4-8(9)24-11(15)16/h2-6,11H,1H3,(H2,17,21)
InChIKeyVBYDYLWRSCRAHJ-UHFFFAOYSA-N
MW392.77 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea

1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea (PubChem CID 88698795) has the molecular formula C13H11ClF2N4O4S and a molecular weight of 392.77 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea
PubChem CID88698795
Molecular FormulaC13H11ClF2N4O4S
Molecular Weight392.77 g/mol
Exact Mass392.02
IUPAC Name1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea
SMILESCc1cc(Cl)nc(N(C(N)=O)S(=O)(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C13H11ClF2N4O4S/c1-7-6-10(14)19-13(18-7)20(12(17)21)25(22,23)9-5-3-2-4-8(9)24-11(15)16/h2-6,11H,1H3,(H2,17,21)
InChIKeyVBYDYLWRSCRAHJ-UHFFFAOYSA-N
XLogP2.31
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea (CID 88698795) is 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea is Cc1cc(Cl)nc(N(C(N)=O)S(=O)(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea?
The InChIKey is VBYDYLWRSCRAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N4O4S/c1-7-6-10(14)19-13(18-7)20(12(17)21)25(22,23)9-5-3-2-4-8(9)24-11(15)16/h2-6,11H,1H3,(H2,17,21).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea?
1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea has a molecular weight of 392.77 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea is sourced from PubChem (CID 88698795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).