phenyl 9-methylcarbazole-3-sulfonate

C19H15NO3S — CID 134956453

IUPACphenyl 9-methylcarbazole-3-sulfonate
SMILESCn1c2ccccc2c2cc(S(=O)(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C19H15NO3S/c1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)24(21,22)23-14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyJHIVTMAOHOLJGC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.10
Rot. Bonds3

About phenyl 9-methylcarbazole-3-sulfonate

phenyl 9-methylcarbazole-3-sulfonate (PubChem CID 134956453) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is phenyl 9-methylcarbazole-3-sulfonate.

Molecular Properties

Compound Namephenyl 9-methylcarbazole-3-sulfonate
PubChem CID134956453
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Namephenyl 9-methylcarbazole-3-sulfonate
SMILESCn1c2ccccc2c2cc(S(=O)(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C19H15NO3S/c1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)24(21,22)23-14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyJHIVTMAOHOLJGC-UHFFFAOYSA-N
XLogP4.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 9-methylcarbazole-3-sulfonate?
The IUPAC name of phenyl 9-methylcarbazole-3-sulfonate (CID 134956453) is phenyl 9-methylcarbazole-3-sulfonate.
What is the SMILES notation for phenyl 9-methylcarbazole-3-sulfonate?
The canonical SMILES for phenyl 9-methylcarbazole-3-sulfonate is Cn1c2ccccc2c2cc(S(=O)(=O)Oc3ccccc3)ccc21.
What is the InChIKey of phenyl 9-methylcarbazole-3-sulfonate?
The InChIKey is JHIVTMAOHOLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)24(21,22)23-14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of phenyl 9-methylcarbazole-3-sulfonate?
phenyl 9-methylcarbazole-3-sulfonate has a molecular weight of 337.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 9-methylcarbazole-3-sulfonate is sourced from PubChem (CID 134956453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).