6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol

C14H23NO4S — CID 107707390

IUPAC6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
SMILESCCOc1ccc(N)c(S(=O)(=O)CCCCCCO)c1
InChIInChI=1S/C14H23NO4S/c1-2-19-12-7-8-13(15)14(11-12)20(17,18)10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10,15H2,1H3
InChIKeyNHDWQBKPQNHUJP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.99
Rot. Bonds9

About 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol

6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol (PubChem CID 107707390) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
PubChem CID107707390
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
SMILESCCOc1ccc(N)c(S(=O)(=O)CCCCCCO)c1
InChIInChI=1S/C14H23NO4S/c1-2-19-12-7-8-13(15)14(11-12)20(17,18)10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10,15H2,1H3
InChIKeyNHDWQBKPQNHUJP-UHFFFAOYSA-N
XLogP1.99
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
CID 81175150
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673
4-ethoxy-2-(3-imidazol-1-ylpropylsulfonyl)aniline
CID 81175287
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
4-ethoxy-2-(2-pyridin-2-ylethylsulfonyl)aniline
CID 81174676
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol?
The IUPAC name of 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol (CID 107707390) is 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol.
What is the SMILES notation for 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol?
The canonical SMILES for 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol is CCOc1ccc(N)c(S(=O)(=O)CCCCCCO)c1.
What is the InChIKey of 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol?
The InChIKey is NHDWQBKPQNHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-2-19-12-7-8-13(15)14(11-12)20(17,18)10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10,15H2,1H3.
What are the key properties of 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol?
6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol has a molecular weight of 301.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol is sourced from PubChem (CID 107707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).