2-(3,3-dimethylbut-1-enyl)benzenesulfonamide

C12H17NO2S — CID 157318662

IUPAC2-(3,3-dimethylbut-1-enyl)benzenesulfonamide
SMILESCC(C)(C)C=Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyHAAZYALIEGPNLK-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.39
Rot. Bonds2

About 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide

2-(3,3-dimethylbut-1-enyl)benzenesulfonamide (PubChem CID 157318662) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-enyl)benzenesulfonamide
PubChem CID157318662
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3,3-dimethylbut-1-enyl)benzenesulfonamide
SMILESCC(C)(C)C=Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyHAAZYALIEGPNLK-UHFFFAOYSA-N
XLogP2.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide?
The IUPAC name of 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide (CID 157318662) is 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide is CC(C)(C)C=Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide?
The InChIKey is HAAZYALIEGPNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15/h4-9H,1-3H3,(H2,13,14,15).
What are the key properties of 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide?
2-(3,3-dimethylbut-1-enyl)benzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-enyl)benzenesulfonamide is sourced from PubChem (CID 157318662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).