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

C20H17NO3S — CID 73352290

IUPAC3-methoxy-9-(4-methylphenyl)sulfonylcarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H17NO3S/c1-14-7-10-16(11-8-14)25(22,23)21-19-6-4-3-5-17(19)18-13-15(24-2)9-12-20(18)21/h3-13H,1-2H3
InChIKeyPHUIVXWIINRBJQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.35
Rot. Bonds3

About 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole

3-methoxy-9-(4-methylphenyl)sulfonylcarbazole (PubChem CID 73352290) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole.

Molecular Properties

Compound Name3-methoxy-9-(4-methylphenyl)sulfonylcarbazole
PubChem CID73352290
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name3-methoxy-9-(4-methylphenyl)sulfonylcarbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H17NO3S/c1-14-7-10-16(11-8-14)25(22,23)21-19-6-4-3-5-17(19)18-13-15(24-2)9-12-20(18)21/h3-13H,1-2H3
InChIKeyPHUIVXWIINRBJQ-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 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The IUPAC name of 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole (CID 73352290) is 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole.
What is the SMILES notation for 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The canonical SMILES for 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole is COc1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
The InChIKey is PHUIVXWIINRBJQ-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)18-13-15(24-2)9-12-20(18)21/h3-13H,1-2H3.
What are the key properties of 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole?
3-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 3-methoxy-9-(4-methylphenyl)sulfonylcarbazole is sourced from PubChem (CID 73352290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).