azane;1-(4-methylphenyl)sulfonylimidazole

C10H13N3O2S — CID 174813676

IUPACazane;1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2ccnc2)cc1.N
InChIInChI=1S/C10H10N2O2S.H3N/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12;/h2-8H,1H3;1H3
InChIKeyFYYGSGUMLBFWER-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.59
Rot. Bonds2

About azane;1-(4-methylphenyl)sulfonylimidazole

azane;1-(4-methylphenyl)sulfonylimidazole (PubChem CID 174813676) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is azane;1-(4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Nameazane;1-(4-methylphenyl)sulfonylimidazole
PubChem CID174813676
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Nameazane;1-(4-methylphenyl)sulfonylimidazole
SMILESCc1ccc(S(=O)(=O)n2ccnc2)cc1.N
InChIInChI=1S/C10H10N2O2S.H3N/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12;/h2-8H,1H3;1H3
InChIKeyFYYGSGUMLBFWER-UHFFFAOYSA-N
XLogP1.59
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azane;1-(4-methylphenyl)sulfonylimidazole 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

1-(4-nitrophenyl)sulfonylimidazole
CID 3563121
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
1-(6-methoxynaphthalen-2-yl)sulfonylimidazole
CID 839429
1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
CID 6472325
N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide
CID 35203398
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
CID 846896
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
CID 26967023
2-(4-methylphenyl)sulfonylpyridazin-3-one
CID 144748375
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628

Frequently Asked Questions

What is the IUPAC name of azane;1-(4-methylphenyl)sulfonylimidazole?
The IUPAC name of azane;1-(4-methylphenyl)sulfonylimidazole (CID 174813676) is azane;1-(4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for azane;1-(4-methylphenyl)sulfonylimidazole?
The canonical SMILES for azane;1-(4-methylphenyl)sulfonylimidazole is Cc1ccc(S(=O)(=O)n2ccnc2)cc1.N.
What is the InChIKey of azane;1-(4-methylphenyl)sulfonylimidazole?
The InChIKey is FYYGSGUMLBFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S.H3N/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12;/h2-8H,1H3;1H3.
What are the key properties of azane;1-(4-methylphenyl)sulfonylimidazole?
azane;1-(4-methylphenyl)sulfonylimidazole has a molecular weight of 239.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 174813676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).