1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea

C11H8BrF2N3O4S2 — CID 24752360

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H8BrF2N3O4S2/c12-8-5-15-11(22-8)16-10(18)17-23(19,20)7-3-1-2-6(4-7)21-9(13)14/h1-5,9H,(H2,15,16,17,18)
InChIKeyCSQRTNQHFALVNU-UHFFFAOYSA-N
MW428.24 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea

1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea (PubChem CID 24752360) has the molecular formula C11H8BrF2N3O4S2 and a molecular weight of 428.24 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
PubChem CID24752360
Molecular FormulaC11H8BrF2N3O4S2
Molecular Weight428.24 g/mol
Exact Mass426.91
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H8BrF2N3O4S2/c12-8-5-15-11(22-8)16-10(18)17-23(19,20)7-3-1-2-6(4-7)21-9(13)14/h1-5,9H,(H2,15,16,17,18)
InChIKeyCSQRTNQHFALVNU-UHFFFAOYSA-N
XLogP3.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea (CID 24752360) is 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea is O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea?
The InChIKey is CSQRTNQHFALVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O4S2/c12-8-5-15-11(22-8)16-10(18)17-23(19,20)7-3-1-2-6(4-7)21-9(13)14/h1-5,9H,(H2,15,16,17,18).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea has a molecular weight of 428.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea is sourced from PubChem (CID 24752360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).