6-(4-ethylsulfonylanilino)hexan-1-ol

C14H23NO3S — CID 103867994

IUPAC6-(4-ethylsulfonylanilino)hexan-1-ol
SMILESCCS(=O)(=O)c1ccc(NCCCCCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-2-19(17,18)14-9-7-13(8-10-14)15-11-5-3-4-6-12-16/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyGCUQVHKUKBBQDP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.44
Rot. Bonds9

About 6-(4-ethylsulfonylanilino)hexan-1-ol

6-(4-ethylsulfonylanilino)hexan-1-ol (PubChem CID 103867994) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-(4-ethylsulfonylanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(4-ethylsulfonylanilino)hexan-1-ol
PubChem CID103867994
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name6-(4-ethylsulfonylanilino)hexan-1-ol
SMILESCCS(=O)(=O)c1ccc(NCCCCCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-2-19(17,18)14-9-7-13(8-10-14)15-11-5-3-4-6-12-16/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyGCUQVHKUKBBQDP-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
3-[2-(4-ethylsulfonylanilino)ethylsulfanyl]propan-1-ol
CID 102846331
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
6-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54145917
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
4-methylsulfonyl-N-nonylaniline
CID 43129285

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylsulfonylanilino)hexan-1-ol?
The IUPAC name of 6-(4-ethylsulfonylanilino)hexan-1-ol (CID 103867994) is 6-(4-ethylsulfonylanilino)hexan-1-ol.
What is the SMILES notation for 6-(4-ethylsulfonylanilino)hexan-1-ol?
The canonical SMILES for 6-(4-ethylsulfonylanilino)hexan-1-ol is CCS(=O)(=O)c1ccc(NCCCCCCO)cc1.
What is the InChIKey of 6-(4-ethylsulfonylanilino)hexan-1-ol?
The InChIKey is GCUQVHKUKBBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-19(17,18)14-9-7-13(8-10-14)15-11-5-3-4-6-12-16/h7-10,15-16H,2-6,11-12H2,1H3.
What are the key properties of 6-(4-ethylsulfonylanilino)hexan-1-ol?
6-(4-ethylsulfonylanilino)hexan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylsulfonylanilino)hexan-1-ol is sourced from PubChem (CID 103867994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).