3,5-difluoro-4-nonylsulfonylaniline

C15H23F2NO2S — CID 61366703

IUPAC3,5-difluoro-4-nonylsulfonylaniline
SMILESCCCCCCCCCS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C15H23F2NO2S/c1-2-3-4-5-6-7-8-9-21(19,20)15-13(16)10-12(18)11-14(15)17/h10-11H,2-9,18H2,1H3
InChIKeySXXKPZXLQMISRB-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.07
Rot. Bonds9

About 3,5-difluoro-4-nonylsulfonylaniline

3,5-difluoro-4-nonylsulfonylaniline (PubChem CID 61366703) has the molecular formula C15H23F2NO2S and a molecular weight of 319.42 g/mol. Its IUPAC name is 3,5-difluoro-4-nonylsulfonylaniline.

Molecular Properties

Compound Name3,5-difluoro-4-nonylsulfonylaniline
PubChem CID61366703
Molecular FormulaC15H23F2NO2S
Molecular Weight319.42 g/mol
Exact Mass319.14
IUPAC Name3,5-difluoro-4-nonylsulfonylaniline
SMILESCCCCCCCCCS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C15H23F2NO2S/c1-2-3-4-5-6-7-8-9-21(19,20)15-13(16)10-12(18)11-14(15)17/h10-11H,2-9,18H2,1H3
InChIKeySXXKPZXLQMISRB-UHFFFAOYSA-N
XLogP4.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-hexylsulfonylaniline
CID 61366705
3,5-difluoro-4-pentylsulfonylaniline
CID 61368233
3-fluoro-4-hexylsulfonylaniline
CID 81191687
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
4-[3-(dimethylamino)propylsulfonyl]-3,5-difluoroaniline
CID 114526479
4-(2-ethylsulfanylethylsulfonyl)-3,5-difluoroaniline
CID 113474111
3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
5-fluoro-2-octylsulfonylaniline
CID 81185523
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
2-(4-amino-2,6-difluorophenyl)sulfonylacetamide
CID 61366888
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
4-hexylsulfonyl-3-methoxyaniline
CID 81206633

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-nonylsulfonylaniline?
The IUPAC name of 3,5-difluoro-4-nonylsulfonylaniline (CID 61366703) is 3,5-difluoro-4-nonylsulfonylaniline.
What is the SMILES notation for 3,5-difluoro-4-nonylsulfonylaniline?
The canonical SMILES for 3,5-difluoro-4-nonylsulfonylaniline is CCCCCCCCCS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 3,5-difluoro-4-nonylsulfonylaniline?
The InChIKey is SXXKPZXLQMISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2S/c1-2-3-4-5-6-7-8-9-21(19,20)15-13(16)10-12(18)11-14(15)17/h10-11H,2-9,18H2,1H3.
What are the key properties of 3,5-difluoro-4-nonylsulfonylaniline?
3,5-difluoro-4-nonylsulfonylaniline has a molecular weight of 319.42 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-nonylsulfonylaniline is sourced from PubChem (CID 61366703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).