2-(benzenesulfonyl)-N-methylaniline

C13H13NO2S — CID 10658135

IUPAC2-(benzenesulfonyl)-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO2S/c1-14-12-9-5-6-10-13(12)17(15,16)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyAMJNIYXKOUQCJQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(benzenesulfonyl)-N-methylaniline

2-(benzenesulfonyl)-N-methylaniline (PubChem CID 10658135) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-methylaniline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-methylaniline
PubChem CID10658135
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-(benzenesulfonyl)-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO2S/c1-14-12-9-5-6-10-13(12)17(15,16)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyAMJNIYXKOUQCJQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-methylaniline?
The IUPAC name of 2-(benzenesulfonyl)-N-methylaniline (CID 10658135) is 2-(benzenesulfonyl)-N-methylaniline.
What is the SMILES notation for 2-(benzenesulfonyl)-N-methylaniline?
The canonical SMILES for 2-(benzenesulfonyl)-N-methylaniline is CNc1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-methylaniline?
The InChIKey is AMJNIYXKOUQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-14-12-9-5-6-10-13(12)17(15,16)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of 2-(benzenesulfonyl)-N-methylaniline?
2-(benzenesulfonyl)-N-methylaniline has a molecular weight of 247.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-methylaniline is sourced from PubChem (CID 10658135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).