1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole

C20H16N2O5S — CID 1330370

IUPAC1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-22(24)16-5-7-17(8-6-16)27-18-9-11-19(12-10-18)28(25,26)21-14-13-15-3-1-2-4-20(15)21/h1-12H,13-14H2
InChIKeyYOSLMQUXWVINRR-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole

1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 1330370) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID1330370
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-22(24)16-5-7-17(8-6-16)27-18-9-11-19(12-10-18)28(25,26)21-14-13-15-3-1-2-4-20(15)21/h1-12H,13-14H2
InChIKeyYOSLMQUXWVINRR-UHFFFAOYSA-N
XLogP4.14
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole (CID 1330370) is 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole is O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is YOSLMQUXWVINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-22(24)16-5-7-17(8-6-16)27-18-9-11-19(12-10-18)28(25,26)21-14-13-15-3-1-2-4-20(15)21/h1-12H,13-14H2.
What are the key properties of 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole?
1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 396.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 1330370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).