5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

C17H14BrClFN3O3S — CID 122594574

IUPAC5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl
InChIInChI=1S/C17H14BrClFN3O3S/c18-12-7-10(2-4-14(12)20)15-9-21-17(23-15)11-1-3-13(19)16(8-11)27(25,26)22-5-6-24/h1-4,7-9,22,24H,5-6H2,(H,21,23)
InChIKeyYDAVYCHXKRXGHQ-UHFFFAOYSA-N
MW474.74 g/mol
LogP3.57
Rot. Bonds6

About 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 122594574) has the molecular formula C17H14BrClFN3O3S and a molecular weight of 474.74 g/mol. Its IUPAC name is 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID122594574
Molecular FormulaC17H14BrClFN3O3S
Molecular Weight474.74 g/mol
Exact Mass472.96
IUPAC Name5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl
InChIInChI=1S/C17H14BrClFN3O3S/c18-12-7-10(2-4-14(12)20)15-9-21-17(23-15)11-1-3-13(19)16(8-11)27(25,26)22-5-6-24/h1-4,7-9,22,24H,5-6H2,(H,21,23)
InChIKeyYDAVYCHXKRXGHQ-UHFFFAOYSA-N
XLogP3.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.74
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 122594574) is 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1cc(-c2ncc(-c3ccc(F)c(Br)c3)[nH]2)ccc1Cl.
What is the InChIKey of 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is YDAVYCHXKRXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClFN3O3S/c18-12-7-10(2-4-14(12)20)15-9-21-17(23-15)11-1-3-13(19)16(8-11)27(25,26)22-5-6-24/h1-4,7-9,22,24H,5-6H2,(H,21,23).
What are the key properties of 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 474.74 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 122594574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).