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

C11H10BrN3O3S2 — CID 24752501

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1
InChIInChI=1S/C11H10BrN3O3S2/c1-7-3-2-4-8(5-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyUGGXZOFPTPJQCH-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.72
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea (PubChem CID 24752501) has the molecular formula C11H10BrN3O3S2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea
PubChem CID24752501
Molecular FormulaC11H10BrN3O3S2
Molecular Weight376.26 g/mol
Exact Mass374.93
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1
InChIInChI=1S/C11H10BrN3O3S2/c1-7-3-2-4-8(5-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyUGGXZOFPTPJQCH-UHFFFAOYSA-N
XLogP2.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.72
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-methylphenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea (CID 24752501) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea is Cc1cccc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea?
The InChIKey is UGGXZOFPTPJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S2/c1-7-3-2-4-8(5-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfonylurea has a molecular weight of 376.26 g/mol, XLogP of 2.72, 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-methylphenyl)sulfonylurea is sourced from PubChem (CID 24752501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).