4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

C15H20N4O2S — CID 132969830

IUPAC4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20N4O2S/c1-19-15(16-11-17-19)18-22(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,16,17,18)
InChIKeyASTVFHSFCGXCIM-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.66
Rot. Bonds4

About 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 132969830) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID132969830
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20N4O2S/c1-19-15(16-11-17-19)18-22(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,16,17,18)
InChIKeyASTVFHSFCGXCIM-UHFFFAOYSA-N
XLogP2.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
1-((2,4,6-Trimethylphenyl)sulfonyl)-1H-1,2,4-triazole
CID 521491
N-(4H-1,2,4-triazol-4-yl)-2-naphthalenesulfonamide
CID 1477519
N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3130273
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
4-Methyl-N-(2-[1,2,4]triazol-1-yl-propyl)-benzenesulfonamide
CID 6499838
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
CID 688072
1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole
CID 688654
N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 1047016

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 132969830) is 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cn1ncnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is ASTVFHSFCGXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19-15(16-11-17-19)18-22(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 132969830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).