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

C15H14N2O4S — CID 3278101

IUPAC2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4S/c1-11-10-12-6-2-3-7-13(12)16(11)22(20,21)15-9-5-4-8-14(15)17(18)19/h2-9,11H,10H2,1H3
InChIKeyQJSWEBLAZJDSFF-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.73
Rot. Bonds3

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

2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 3278101) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
PubChem CID3278101
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4S/c1-11-10-12-6-2-3-7-13(12)16(11)22(20,21)15-9-5-4-8-14(15)17(18)19/h2-9,11H,10H2,1H3
InChIKeyQJSWEBLAZJDSFF-UHFFFAOYSA-N
XLogP2.73
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole (CID 3278101) is 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is QJSWEBLAZJDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-11-10-12-6-2-3-7-13(12)16(11)22(20,21)15-9-5-4-8-14(15)17(18)19/h2-9,11H,10H2,1H3.
What are the key properties of 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 318.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-nitrophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3278101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).