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

C10H7BrClN3O3S2 — CID 24780158

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
InChIKeyVRHXEPNJEQXSSS-UHFFFAOYSA-N
MW396.68 g/mol
LogP3.07
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea (PubChem CID 24780158) has the molecular formula C10H7BrClN3O3S2 and a molecular weight of 396.68 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea
PubChem CID24780158
Molecular FormulaC10H7BrClN3O3S2
Molecular Weight396.68 g/mol
Exact Mass394.88
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
InChIKeyVRHXEPNJEQXSSS-UHFFFAOYSA-N
XLogP3.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 53.07
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-chlorophenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea (CID 24780158) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea is O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea?
The InChIKey is VRHXEPNJEQXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3-chlorophenyl)sulfonylurea has a molecular weight of 396.68 g/mol, XLogP of 3.07, 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-chlorophenyl)sulfonylurea is sourced from PubChem (CID 24780158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).