2-methoxy-9-(4-methylphenyl)sulfonylcarbazole

C20H17NO3S — CID 73352289

IUPAC2-methoxy-9-(4-methylphenyl)sulfonylcarbazole
SMILESCOc1ccc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H17NO3S/c1-14-7-10-16(11-8-14)25(22,23)21-19-6-4-3-5-17(19)18-12-9-15(24-2)13-20(18)21/h3-13H,1-2H3
InChIKeyAZXTYICVMILQEQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.35
Rot. Bonds3

About 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole

2-methoxy-9-(4-methylphenyl)sulfonylcarbazole (PubChem CID 73352289) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole.

Molecular Properties

Compound Name2-methoxy-9-(4-methylphenyl)sulfonylcarbazole
PubChem CID73352289
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2-methoxy-9-(4-methylphenyl)sulfonylcarbazole
SMILESCOc1ccc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H17NO3S/c1-14-7-10-16(11-8-14)25(22,23)21-19-6-4-3-5-17(19)18-12-9-15(24-2)13-20(18)21/h3-13H,1-2H3
InChIKeyAZXTYICVMILQEQ-UHFFFAOYSA-N
XLogP4.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The IUPAC name of 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole (CID 73352289) is 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole.
What is the SMILES notation for 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The canonical SMILES for 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole is COc1ccc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The InChIKey is AZXTYICVMILQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-14-7-10-16(11-8-14)25(22,23)21-19-6-4-3-5-17(19)18-12-9-15(24-2)13-20(18)21/h3-13H,1-2H3.
What are the key properties of 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
2-methoxy-9-(4-methylphenyl)sulfonylcarbazole has a molecular weight of 351.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-(4-methylphenyl)sulfonylcarbazole is sourced from PubChem (CID 73352289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).