2-(benzenesulfonyl)-N,N-dimethylaniline

C14H15NO2S — CID 54238415

IUPAC2-(benzenesulfonyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-15(2)13-10-6-7-11-14(13)18(16,17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyQOFOLNOGEJHONX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds3

About 2-(benzenesulfonyl)-N,N-dimethylaniline

2-(benzenesulfonyl)-N,N-dimethylaniline (PubChem CID 54238415) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-dimethylaniline
PubChem CID54238415
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(benzenesulfonyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-15(2)13-10-6-7-11-14(13)18(16,17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyQOFOLNOGEJHONX-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-dimethylaniline?
The IUPAC name of 2-(benzenesulfonyl)-N,N-dimethylaniline (CID 54238415) is 2-(benzenesulfonyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-dimethylaniline is CN(C)c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-dimethylaniline?
The InChIKey is QOFOLNOGEJHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(2)13-10-6-7-11-14(13)18(16,17)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N,N-dimethylaniline?
2-(benzenesulfonyl)-N,N-dimethylaniline has a molecular weight of 261.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-dimethylaniline is sourced from PubChem (CID 54238415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).