9-(4-methylphenyl)sulfonyl-2-phenylcarbazole

C25H19NO2S — CID 73356831

IUPAC9-(4-methylphenyl)sulfonyl-2-phenylcarbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C25H19NO2S/c1-18-11-14-21(15-12-18)29(27,28)26-24-10-6-5-9-22(24)23-16-13-20(17-25(23)26)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyRZXSEIHUTKRNNB-UHFFFAOYSA-N
MW397.50 g/mol
LogP6.01
Rot. Bonds3

About 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole

9-(4-methylphenyl)sulfonyl-2-phenylcarbazole (PubChem CID 73356831) has the molecular formula C25H19NO2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole.

Molecular Properties

Compound Name9-(4-methylphenyl)sulfonyl-2-phenylcarbazole
PubChem CID73356831
Molecular FormulaC25H19NO2S
Molecular Weight397.50 g/mol
Exact Mass397.11
IUPAC Name9-(4-methylphenyl)sulfonyl-2-phenylcarbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C25H19NO2S/c1-18-11-14-21(15-12-18)29(27,28)26-24-10-6-5-9-22(24)23-16-13-20(17-25(23)26)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyRZXSEIHUTKRNNB-UHFFFAOYSA-N
XLogP6.01
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole?
The IUPAC name of 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole (CID 73356831) is 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole.
What is the SMILES notation for 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole?
The canonical SMILES for 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole is Cc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole?
The InChIKey is RZXSEIHUTKRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2S/c1-18-11-14-21(15-12-18)29(27,28)26-24-10-6-5-9-22(24)23-16-13-20(17-25(23)26)19-7-3-2-4-8-19/h2-17H,1H3.
What are the key properties of 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole?
9-(4-methylphenyl)sulfonyl-2-phenylcarbazole has a molecular weight of 397.50 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)sulfonyl-2-phenylcarbazole is sourced from PubChem (CID 73356831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).