N-(5-methylheptan-3-yl)-2-methylsulfonylaniline

C15H25NO2S — CID 43724656

IUPACN-(5-methylheptan-3-yl)-2-methylsulfonylaniline
SMILESCCC(C)CC(CC)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-5-12(3)11-13(6-2)16-14-9-7-8-10-15(14)19(4,17)18/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyMRGWAYCQKRXLAI-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.72
Rot. Bonds7

About N-(5-methylheptan-3-yl)-2-methylsulfonylaniline

N-(5-methylheptan-3-yl)-2-methylsulfonylaniline (PubChem CID 43724656) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-2-methylsulfonylaniline
PubChem CID43724656
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(5-methylheptan-3-yl)-2-methylsulfonylaniline
SMILESCCC(C)CC(CC)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-5-12(3)11-13(6-2)16-14-9-7-8-10-15(14)19(4,17)18/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyMRGWAYCQKRXLAI-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-2-methylsulfonylaniline?
The IUPAC name of N-(5-methylheptan-3-yl)-2-methylsulfonylaniline (CID 43724656) is N-(5-methylheptan-3-yl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-2-methylsulfonylaniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-2-methylsulfonylaniline is CCC(C)CC(CC)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(5-methylheptan-3-yl)-2-methylsulfonylaniline?
The InChIKey is MRGWAYCQKRXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12(3)11-13(6-2)16-14-9-7-8-10-15(14)19(4,17)18/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-2-methylsulfonylaniline?
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline has a molecular weight of 283.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-2-methylsulfonylaniline is sourced from PubChem (CID 43724656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).