1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea

C10H6BrF2N3O3S2 — CID 24751787

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17)
InChIKeyWWKLOSZEORFAGJ-UHFFFAOYSA-N
MW398.21 g/mol
LogP2.69
Rot. Bonds3

About 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea

1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea (PubChem CID 24751787) has the molecular formula C10H6BrF2N3O3S2 and a molecular weight of 398.21 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea
PubChem CID24751787
Molecular FormulaC10H6BrF2N3O3S2
Molecular Weight398.21 g/mol
Exact Mass396.90
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17)
InChIKeyWWKLOSZEORFAGJ-UHFFFAOYSA-N
XLogP2.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea (CID 24751787) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea is O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea?
The InChIKey is WWKLOSZEORFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)5-1-2-6(12)7(13)3-5/h1-4H,(H2,14,15,16,17).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea has a molecular weight of 398.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-difluorophenyl)sulfonylurea is sourced from PubChem (CID 24751787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).