1-ethylsulfonyl-6-nitro-2,3-dihydroindole

C10H12N2O4S — CID 110287378

IUPAC1-ethylsulfonyl-6-nitro-2,3-dihydroindole
SMILESCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H12N2O4S/c1-2-17(15,16)11-6-5-8-3-4-9(12(13)14)7-10(8)11/h3-4,7H,2,5-6H2,1H3
InChIKeySFQCWXIVJIFCSC-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.31
Rot. Bonds3

About 1-ethylsulfonyl-6-nitro-2,3-dihydroindole

1-ethylsulfonyl-6-nitro-2,3-dihydroindole (PubChem CID 110287378) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethylsulfonyl-6-nitro-2,3-dihydroindole
PubChem CID110287378
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-ethylsulfonyl-6-nitro-2,3-dihydroindole
SMILESCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H12N2O4S/c1-2-17(15,16)11-6-5-8-3-4-9(12(13)14)7-10(8)11/h3-4,7H,2,5-6H2,1H3
InChIKeySFQCWXIVJIFCSC-UHFFFAOYSA-N
XLogP1.31
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.31
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

1-[(4-fluorophenyl)methylsulfonyl]-6-nitro-2,3-dihydroindole
CID 32681222
1-[2-(4-fluorophenoxy)ethylsulfonyl]-6-nitro-2,3-dihydroindole
CID 110306404
N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110291960
6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
CID 110427320
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 110287385
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
1-cyclohexylsulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 122630596
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-nitro-2,3-dihydroindole?
The IUPAC name of 1-ethylsulfonyl-6-nitro-2,3-dihydroindole (CID 110287378) is 1-ethylsulfonyl-6-nitro-2,3-dihydroindole.
What is the SMILES notation for 1-ethylsulfonyl-6-nitro-2,3-dihydroindole?
The canonical SMILES for 1-ethylsulfonyl-6-nitro-2,3-dihydroindole is CCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-ethylsulfonyl-6-nitro-2,3-dihydroindole?
The InChIKey is SFQCWXIVJIFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-2-17(15,16)11-6-5-8-3-4-9(12(13)14)7-10(8)11/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-6-nitro-2,3-dihydroindole?
1-ethylsulfonyl-6-nitro-2,3-dihydroindole has a molecular weight of 256.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-nitro-2,3-dihydroindole is sourced from PubChem (CID 110287378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).