2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid

C16H10Cl3N3O4S — CID 58937020

IUPAC2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(-n3cnc(Cl)c3Cl)cc2)ccc1Cl
InChIInChI=1S/C16H10Cl3N3O4S/c17-13-6-5-11(7-12(13)16(23)24)27(25,26)21-9-1-3-10(4-2-9)22-8-20-14(18)15(22)19/h1-8,21H,(H,23,24)
InChIKeyCHAHASFLWXLNBO-UHFFFAOYSA-N
MW446.70 g/mol
LogP4.33
Rot. Bonds5

About 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid

2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 58937020) has the molecular formula C16H10Cl3N3O4S and a molecular weight of 446.70 g/mol. Its IUPAC name is 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID58937020
Molecular FormulaC16H10Cl3N3O4S
Molecular Weight446.70 g/mol
Exact Mass444.95
IUPAC Name2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(-n3cnc(Cl)c3Cl)cc2)ccc1Cl
InChIInChI=1S/C16H10Cl3N3O4S/c17-13-6-5-11(7-12(13)16(23)24)27(25,26)21-9-1-3-10(4-2-9)22-8-20-14(18)15(22)19/h1-8,21H,(H,23,24)
InChIKeyCHAHASFLWXLNBO-UHFFFAOYSA-N
XLogP4.33
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.70
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide
CID 3277746
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3851178
2-chloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3859357
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]pyridine-3-sulfonamide
CID 25036762
2-bromo-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3276095
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
CID 103962654
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid (CID 58937020) is 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(-n3cnc(Cl)c3Cl)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is CHAHASFLWXLNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O4S/c17-13-6-5-11(7-12(13)16(23)24)27(25,26)21-9-1-3-10(4-2-9)22-8-20-14(18)15(22)19/h1-8,21H,(H,23,24).
What are the key properties of 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid?
2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 446.70 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 58937020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).