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

C14H12N2O4S — CID 2952438

IUPAC1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C14H12N2O4S/c17-16(18)12-5-3-6-13(10-12)21(19,20)15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2
InChIKeyGYIGCFMFXUNFQO-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.35
Rot. Bonds3

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

1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 2952438) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
PubChem CID2952438
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C14H12N2O4S/c17-16(18)12-5-3-6-13(10-12)21(19,20)15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2
InChIKeyGYIGCFMFXUNFQO-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'}

Analyze 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 23120118
1-(3-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 126485505
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
4-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 23120230
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzenesulfonamide
CID 16825779
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole (CID 2952438) is 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole is O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GYIGCFMFXUNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-16(18)12-5-3-6-13(10-12)21(19,20)15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2.
What are the key properties of 1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole?
1-(3-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-(3-nitrophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 2952438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).