9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole

C25H23N3O3S — CID 67618602

IUPAC9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole
SMILESCCOC(c1ccc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1)c1cncn1C
InChIInChI=1S/C25H23N3O3S/c1-3-31-25(24-16-26-17-27(24)2)18-13-14-21-20-11-7-8-12-22(20)28(23(21)15-18)32(29,30)19-9-5-4-6-10-19/h4-17,25H,3H2,1-2H3
InChIKeyOTJGKIQBDQPEPV-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.89
Rot. Bonds6

About 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole

9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole (PubChem CID 67618602) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole
PubChem CID67618602
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole
SMILESCCOC(c1ccc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1)c1cncn1C
InChIInChI=1S/C25H23N3O3S/c1-3-31-25(24-16-26-17-27(24)2)18-13-14-21-20-11-7-8-12-22(20)28(23(21)15-18)32(29,30)19-9-5-4-6-10-19/h4-17,25H,3H2,1-2H3
InChIKeyOTJGKIQBDQPEPV-UHFFFAOYSA-N
XLogP4.89
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole?
The IUPAC name of 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole (CID 67618602) is 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole?
The canonical SMILES for 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole is CCOC(c1ccc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1)c1cncn1C.
What is the InChIKey of 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole?
The InChIKey is OTJGKIQBDQPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-3-31-25(24-16-26-17-27(24)2)18-13-14-21-20-11-7-8-12-22(20)28(23(21)15-18)32(29,30)19-9-5-4-6-10-19/h4-17,25H,3H2,1-2H3.
What are the key properties of 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole?
9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole has a molecular weight of 445.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-[ethoxy-(3-methylimidazol-4-yl)methyl]carbazole is sourced from PubChem (CID 67618602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).