4-methylsulfonyl-N-nonylaniline

C16H27NO2S — CID 43129285

IUPAC4-methylsulfonyl-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-14-17-15-10-12-16(13-11-15)20(2,18)19/h10-13,17H,3-9,14H2,1-2H3
InChIKeyKKCWMEDIEAQMNM-UHFFFAOYSA-N
MW297.46 g/mol
LogP4.25
Rot. Bonds10

About 4-methylsulfonyl-N-nonylaniline

4-methylsulfonyl-N-nonylaniline (PubChem CID 43129285) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-methylsulfonyl-N-nonylaniline.

Molecular Properties

Compound Name4-methylsulfonyl-N-nonylaniline
PubChem CID43129285
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name4-methylsulfonyl-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-14-17-15-10-12-16(13-11-15)20(2,18)19/h10-13,17H,3-9,14H2,1-2H3
InChIKeyKKCWMEDIEAQMNM-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.25
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

4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
4-[[4-(hexylamino)phenyl]diazenyl]benzenesulfonic acid
CID 100963290
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
6-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54145917
1-dodecyl-3-(4-methylsulfonylphenyl)thiourea
CID 122437166
sodium 4-[[(Z)-octadec-9-enyl]amino]benzenesulfonate
CID 88697998
N-(3-methylsulfinylpropyl)-4-methylsulfonylaniline
CID 113412235
N-butyl-4-propylsulfonylaniline
CID 43453437
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-nonylaniline?
The IUPAC name of 4-methylsulfonyl-N-nonylaniline (CID 43129285) is 4-methylsulfonyl-N-nonylaniline.
What is the SMILES notation for 4-methylsulfonyl-N-nonylaniline?
The canonical SMILES for 4-methylsulfonyl-N-nonylaniline is CCCCCCCCCNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methylsulfonyl-N-nonylaniline?
The InChIKey is KKCWMEDIEAQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-14-17-15-10-12-16(13-11-15)20(2,18)19/h10-13,17H,3-9,14H2,1-2H3.
What are the key properties of 4-methylsulfonyl-N-nonylaniline?
4-methylsulfonyl-N-nonylaniline has a molecular weight of 297.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-nonylaniline is sourced from PubChem (CID 43129285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).