N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide

C12H15N3O2S — CID 110735632

IUPACN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cnc(C)[nH]2)c1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-5-10(7-11)12-8-13-9(2)14-12/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyCDIARVXHJSRDSM-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.15
Rot. Bonds4

About N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide

N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 110735632) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
PubChem CID110735632
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cnc(C)[nH]2)c1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-5-10(7-11)12-8-13-9(2)14-12/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyCDIARVXHJSRDSM-UHFFFAOYSA-N
XLogP2.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735641
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
CID 110735547
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
CID 110735606
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110735617
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
CID 172747956

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide (CID 110735632) is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cnc(C)[nH]2)c1.
What is the InChIKey of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is CDIARVXHJSRDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-5-10(7-11)12-8-13-9(2)14-12/h4-8,15H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide?
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).