N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide

C11H13N3O3S — CID 63564852

IUPACN-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-9(17-2)10(7-8)18(15,16)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyZACRVDMPJRJZOV-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.53
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 63564852) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID63564852
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-9(17-2)10(7-8)18(15,16)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyZACRVDMPJRJZOV-UHFFFAOYSA-N
XLogP1.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 63564852) is N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is ZACRVDMPJRJZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-3-4-9(17-2)10(7-8)18(15,16)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 63564852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).