4-carbazol-9-ylbutane-1-sulfonic acid

C16H17NO3S — CID 87202884

IUPAC4-carbazol-9-ylbutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10H,5-6,11-12H2,(H,18,19,20)
InChIKeyZEFNJDXOAMDVCM-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.46
Rot. Bonds5

About 4-carbazol-9-ylbutane-1-sulfonic acid

4-carbazol-9-ylbutane-1-sulfonic acid (PubChem CID 87202884) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-carbazol-9-ylbutane-1-sulfonic acid.

Molecular Properties

Compound Name4-carbazol-9-ylbutane-1-sulfonic acid
PubChem CID87202884
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-carbazol-9-ylbutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10H,5-6,11-12H2,(H,18,19,20)
InChIKeyZEFNJDXOAMDVCM-UHFFFAOYSA-N
XLogP3.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylbutane-1-sulfonic acid?
The IUPAC name of 4-carbazol-9-ylbutane-1-sulfonic acid (CID 87202884) is 4-carbazol-9-ylbutane-1-sulfonic acid.
What is the SMILES notation for 4-carbazol-9-ylbutane-1-sulfonic acid?
The canonical SMILES for 4-carbazol-9-ylbutane-1-sulfonic acid is O=S(=O)(O)CCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-ylbutane-1-sulfonic acid?
The InChIKey is ZEFNJDXOAMDVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10H,5-6,11-12H2,(H,18,19,20).
What are the key properties of 4-carbazol-9-ylbutane-1-sulfonic acid?
4-carbazol-9-ylbutane-1-sulfonic acid has a molecular weight of 303.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylbutane-1-sulfonic acid is sourced from PubChem (CID 87202884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).