4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide

C17H18N4O2S — CID 71723312

IUPAC4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2cn(CCc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13-2-6-15(7-3-13)17-12-21(20-19-17)11-10-14-4-8-16(9-5-14)24(18,22)23/h2-9,12H,10-11H2,1H3,(H2,18,22,23)
InChIKeyVRGATHDOGPBMPB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.14
Rot. Bonds5

About 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide

4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 71723312) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID71723312
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2cn(CCc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13-2-6-15(7-3-13)17-12-21(20-19-17)11-10-14-4-8-16(9-5-14)24(18,22)23/h2-9,12H,10-11H2,1H3,(H2,18,22,23)
InChIKeyVRGATHDOGPBMPB-UHFFFAOYSA-N
XLogP2.14
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 71723312) is 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(-c2cn(CCc3ccc(S(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is VRGATHDOGPBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13-2-6-15(7-3-13)17-12-21(20-19-17)11-10-14-4-8-16(9-5-14)24(18,22)23/h2-9,12H,10-11H2,1H3,(H2,18,22,23).
What are the key properties of 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71723312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).