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

C18H16BrN3O3S2 — CID 24752079

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
SMILESCCc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)ccc1-c1ccccc1
InChIInChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23)
InChIKeyNUXUEZJTLCTLKE-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.65
Rot. Bonds5

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

1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea (PubChem CID 24752079) has the molecular formula C18H16BrN3O3S2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
PubChem CID24752079
Molecular FormulaC18H16BrN3O3S2
Molecular Weight466.38 g/mol
Exact Mass464.98
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
SMILESCCc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)ccc1-c1ccccc1
InChIInChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23)
InChIKeyNUXUEZJTLCTLKE-UHFFFAOYSA-N
XLogP4.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.65
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-ethyl-4-phenylphenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea (CID 24752079) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea is CCc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)ccc1-c1ccccc1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea?
The InChIKey is NUXUEZJTLCTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea has a molecular weight of 466.38 g/mol, XLogP of 4.65, 5 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-ethyl-4-phenylphenyl)sulfonylurea is sourced from PubChem (CID 24752079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).