[9-(benzenesulfonyl)carbazol-4-yl] acetate

C20H15NO4S — CID 11257063

IUPAC[9-(benzenesulfonyl)carbazol-4-yl] acetate
SMILESCC(=O)Oc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15NO4S/c1-14(22)25-19-13-7-12-18-20(19)16-10-5-6-11-17(16)21(18)26(23,24)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyCGZHDVXUHWMXDZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.96
Rot. Bonds3

About [9-(benzenesulfonyl)carbazol-4-yl] acetate

[9-(benzenesulfonyl)carbazol-4-yl] acetate (PubChem CID 11257063) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is [9-(benzenesulfonyl)carbazol-4-yl] acetate.

Molecular Properties

Compound Name[9-(benzenesulfonyl)carbazol-4-yl] acetate
PubChem CID11257063
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name[9-(benzenesulfonyl)carbazol-4-yl] acetate
SMILESCC(=O)Oc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15NO4S/c1-14(22)25-19-13-7-12-18-20(19)16-10-5-6-11-17(16)21(18)26(23,24)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyCGZHDVXUHWMXDZ-UHFFFAOYSA-N
XLogP3.96
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-(benzenesulfonyl)carbazol-4-yl] acetate?
The IUPAC name of [9-(benzenesulfonyl)carbazol-4-yl] acetate (CID 11257063) is [9-(benzenesulfonyl)carbazol-4-yl] acetate.
What is the SMILES notation for [9-(benzenesulfonyl)carbazol-4-yl] acetate?
The canonical SMILES for [9-(benzenesulfonyl)carbazol-4-yl] acetate is CC(=O)Oc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [9-(benzenesulfonyl)carbazol-4-yl] acetate?
The InChIKey is CGZHDVXUHWMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c1-14(22)25-19-13-7-12-18-20(19)16-10-5-6-11-17(16)21(18)26(23,24)15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of [9-(benzenesulfonyl)carbazol-4-yl] acetate?
[9-(benzenesulfonyl)carbazol-4-yl] acetate has a molecular weight of 365.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(benzenesulfonyl)carbazol-4-yl] acetate is sourced from PubChem (CID 11257063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).