N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

C10H10ClN3O3S — CID 64786558

IUPACN-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)[nH]1
InChIInChI=1S/C10H10ClN3O3S/c1-6-12-5-10(13-6)18(16,17)14-7-2-3-9(15)8(11)4-7/h2-5,14-15H,1H3,(H,12,13)
InChIKeyZNHRKBSPFBQVLO-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.88
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 64786558) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID64786558
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)[nH]1
InChIInChI=1S/C10H10ClN3O3S/c1-6-12-5-10(13-6)18(16,17)14-7-2-3-9(15)8(11)4-7/h2-5,14-15H,1H3,(H,12,13)
InChIKeyZNHRKBSPFBQVLO-UHFFFAOYSA-N
XLogP1.88
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62997996
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422171
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 64786558) is N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)[nH]1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is ZNHRKBSPFBQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-6-12-5-10(13-6)18(16,17)14-7-2-3-9(15)8(11)4-7/h2-5,14-15H,1H3,(H,12,13).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 287.73 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 64786558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).