4-(1-hydroxynonylamino)benzenesulfonic acid

C15H25NO4S — CID 57221182

IUPAC4-(1-hydroxynonylamino)benzenesulfonic acid
SMILESCCCCCCCCC(O)Nc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-15(17)16-13-9-11-14(12-10-13)21(18,19)20/h9-12,15-17H,2-8H2,1H3,(H,18,19,20)
InChIKeyMZUXJCOITZTQRG-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.41
Rot. Bonds10

About 4-(1-hydroxynonylamino)benzenesulfonic acid

4-(1-hydroxynonylamino)benzenesulfonic acid (PubChem CID 57221182) has the molecular formula C15H25NO4S and a molecular weight of 315.43 g/mol. Its IUPAC name is 4-(1-hydroxynonylamino)benzenesulfonic acid.

Molecular Properties

Compound Name4-(1-hydroxynonylamino)benzenesulfonic acid
PubChem CID57221182
Molecular FormulaC15H25NO4S
Molecular Weight315.43 g/mol
Exact Mass315.15
IUPAC Name4-(1-hydroxynonylamino)benzenesulfonic acid
SMILESCCCCCCCCC(O)Nc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-15(17)16-13-9-11-14(12-10-13)21(18,19)20/h9-12,15-17H,2-8H2,1H3,(H,18,19,20)
InChIKeyMZUXJCOITZTQRG-UHFFFAOYSA-N
XLogP3.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-anilinohexadecan-1-ol
CID 173133122
3-(4-dodecylanilino)-3-hydroxypropane-1-sulfonic acid
CID 141171182
4-tetradecan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonic acid
CID 169446924
4-[(2S)-undecan-2-yl]benzenesulfonic acid
CID 124577681
4-undecan-2-ylbenzenesulfonic acid
CID 6454295
decan-4-ol;4-methylbenzenesulfonic acid
CID 71369970
heptan-2-ol;4-methylbenzenesulfonic acid
CID 71366776
4-(2-methyltridecyl)benzenesulfonic acid
CID 101088277
CID 173074049
CID 173074049
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
benzenesulfonic acid;nonane
CID 158294552
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxynonylamino)benzenesulfonic acid?
The IUPAC name of 4-(1-hydroxynonylamino)benzenesulfonic acid (CID 57221182) is 4-(1-hydroxynonylamino)benzenesulfonic acid.
What is the SMILES notation for 4-(1-hydroxynonylamino)benzenesulfonic acid?
The canonical SMILES for 4-(1-hydroxynonylamino)benzenesulfonic acid is CCCCCCCCC(O)Nc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-(1-hydroxynonylamino)benzenesulfonic acid?
The InChIKey is MZUXJCOITZTQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-15(17)16-13-9-11-14(12-10-13)21(18,19)20/h9-12,15-17H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 4-(1-hydroxynonylamino)benzenesulfonic acid?
4-(1-hydroxynonylamino)benzenesulfonic acid has a molecular weight of 315.43 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxynonylamino)benzenesulfonic acid is sourced from PubChem (CID 57221182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).