3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole

C14H11N3O2S — CID 11000607

IUPAC3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole
SMILESO=S(=O)(c1ccccc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H11N3O2S/c18-20(19,13-9-5-2-6-10-13)14-15-11-17(16-14)12-7-3-1-4-8-12/h1-11H
InChIKeyDEGSYHRQOBKVMH-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.10
Rot. Bonds3

About 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole

3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole (PubChem CID 11000607) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole
PubChem CID11000607
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole
SMILESO=S(=O)(c1ccccc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H11N3O2S/c18-20(19,13-9-5-2-6-10-13)14-15-11-17(16-14)12-7-3-1-4-8-12/h1-11H
InChIKeyDEGSYHRQOBKVMH-UHFFFAOYSA-N
XLogP2.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
1-phenyl-1,2,4-triazole-3-carbaldehyde
CID 15707892
3-fluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 75453407
2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
CID 54138788
[4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] benzoate
CID 5098861
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
5-(benzenesulfonyl)-2H-tetrazole
CID 15323576
N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
CID 59661069
[4-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]phenyl]methanol
CID 110005770
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole (CID 11000607) is 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole is O=S(=O)(c1ccccc1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole?
The InChIKey is DEGSYHRQOBKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-20(19,13-9-5-2-6-10-13)14-15-11-17(16-14)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole?
3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole has a molecular weight of 285.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 11000607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).