4-ethylsulfonyl-N-pentylaniline

C13H21NO2S — CID 43453358

IUPAC4-ethylsulfonyl-N-pentylaniline
SMILESCCCCCNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H21NO2S/c1-3-5-6-11-14-12-7-9-13(10-8-12)17(15,16)4-2/h7-10,14H,3-6,11H2,1-2H3
InChIKeyQINBYXOULYMOBU-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.08
Rot. Bonds7

About 4-ethylsulfonyl-N-pentylaniline

4-ethylsulfonyl-N-pentylaniline (PubChem CID 43453358) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-pentylaniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-pentylaniline
PubChem CID43453358
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-ethylsulfonyl-N-pentylaniline
SMILESCCCCCNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H21NO2S/c1-3-5-6-11-14-12-7-9-13(10-8-12)17(15,16)4-2/h7-10,14H,3-6,11H2,1-2H3
InChIKeyQINBYXOULYMOBU-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
N-butyl-4-propylsulfonylaniline
CID 43453437
4-methylsulfonyl-N-nonylaniline
CID 43129285
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
4-[[4-(hexylamino)phenyl]diazenyl]benzenesulfonic acid
CID 100963290
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
sodium 4-[[(Z)-octadec-9-enyl]amino]benzenesulfonate
CID 88697998
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-pentylaniline?
The IUPAC name of 4-ethylsulfonyl-N-pentylaniline (CID 43453358) is 4-ethylsulfonyl-N-pentylaniline.
What is the SMILES notation for 4-ethylsulfonyl-N-pentylaniline?
The canonical SMILES for 4-ethylsulfonyl-N-pentylaniline is CCCCCNc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-pentylaniline?
The InChIKey is QINBYXOULYMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-5-6-11-14-12-7-9-13(10-8-12)17(15,16)4-2/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-pentylaniline?
4-ethylsulfonyl-N-pentylaniline has a molecular weight of 255.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-pentylaniline is sourced from PubChem (CID 43453358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).