1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole

C14H12N2O4S — CID 818662

IUPAC1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H12N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2
InChIKeyFVZCYSLFLGOGBS-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole

1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 818662) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
PubChem CID818662
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H12N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2
InChIKeyFVZCYSLFLGOGBS-UHFFFAOYSA-N
XLogP2.35
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
1-(2-Nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 583396
N-benzyl-N-methyl-2-nitrobenzenesulfonamide
CID 818671
1,2,3,4-Tetrahydro-1-((4-nitrophenyl)sulfonyl)quinoline
CID 583393
N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
CID 4876164
1-[(4-Methylphenyl)sulfonyl]-4,6-dinitroindoline
CID 562842
1-(3-Nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
1-(Phenylsulfonyl)-2-methylindoline
CID 2985032
2-Methyl-1-[(4-methylphenyl)sulfonyl]indoline
CID 4205010
1-[(4-Fluorophenyl)sulfonyl]-2-methylindoline
CID 5297455

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole (CID 818662) is 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is FVZCYSLFLGOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2.
What are the key properties of 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 304.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 818662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).