4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide

C13H17N3O2S — CID 55212177

IUPAC4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-12(7-5-11)19(17,18)16-13-14-8-9-15-13/h4-10H,3H2,1-2H3,(H2,14,15,16)
InChIKeyUXUGPOMWUXIZCE-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.72
Rot. Bonds5

About 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide

4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 55212177) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID55212177
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-12(7-5-11)19(17,18)16-13-14-8-9-15-13/h4-10H,3H2,1-2H3,(H2,14,15,16)
InChIKeyUXUGPOMWUXIZCE-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
CID 63564855
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563188
2-[4-(1H-imidazol-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79195804
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
N-(propan-2-ylsulfamoyl)-1H-imidazol-2-amine
CID 114810099
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 55212177) is 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is UXUGPOMWUXIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-12(7-5-11)19(17,18)16-13-14-8-9-15-13/h4-10H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide?
4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 55212177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).