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

C10H6BrCl2N3O3S2 — CID 24752362

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6BrCl2N3O3S2/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)
InChIKeyPOUXHUUOMBBCQP-UHFFFAOYSA-N
MW431.12 g/mol
LogP3.72
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea (PubChem CID 24752362) has the molecular formula C10H6BrCl2N3O3S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
PubChem CID24752362
Molecular FormulaC10H6BrCl2N3O3S2
Molecular Weight431.12 g/mol
Exact Mass428.84
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6BrCl2N3O3S2/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)
InChIKeyPOUXHUUOMBBCQP-UHFFFAOYSA-N
XLogP3.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylurea
CID 24751655
1-(5-bromo-1,3-thiazol-2-yl)-3-[(5-methyl-1-benzothiophen-2-yl)sulfonyl]urea
CID 42634696
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653631
1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(methoxymethyl)-4-methylthiophen-2-yl]sulfonylurea
CID 24752788
1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(6-fluoro-3-pyridinyl)-4-methylthiophen-2-yl]sulfonylurea
CID 24780310
1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxy-2-methylphenyl)-4-methylthiophen-2-yl]sulfonylurea
CID 24752643
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 64607879
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
(3,4-dichlorophenyl)sulfonylcarbamodithioic acid
CID 20570287
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
CID 87181448

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea (CID 24752362) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea is O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea?
The InChIKey is POUXHUUOMBBCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O3S2/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-dichlorophenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea has a molecular weight of 431.12 g/mol, XLogP of 3.72, 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-(3,4-dichlorophenyl)sulfonylurea is sourced from PubChem (CID 24752362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).