N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide

C12H15N3O2S2 — CID 51204540

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
SMILESCn1ccnc1SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S2/c1-15-9-7-13-12(15)18-10-8-14-19(16,17)11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3
InChIKeyRPUAODFOXCITLH-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide (PubChem CID 51204540) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
PubChem CID51204540
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
SMILESCn1ccnc1SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S2/c1-15-9-7-13-12(15)18-10-8-14-19(16,17)11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3
InChIKeyRPUAODFOXCITLH-UHFFFAOYSA-N
XLogP1.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzenesulfonamide
CID 47051221
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
(1S)-3-(1-methylimidazol-2-yl)sulfanyl-1-phenylpropan-1-ol
CID 94830596
2-[2-(1-methylimidazol-2-yl)sulfanylethoxy]aniline
CID 43174485
N-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzenesulfonamide
CID 51091381
4-fluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzenesulfonamide
CID 135347426
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851
5-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-5-oxopentanoic acid
CID 123173965
N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 4566754
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide (CID 51204540) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide is Cn1ccnc1SCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide?
The InChIKey is RPUAODFOXCITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-15-9-7-13-12(15)18-10-8-14-19(16,17)11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide is sourced from PubChem (CID 51204540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).