1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole

C16H16N2O6S — CID 3852643

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C16H16N2O6S/c1-23-13-5-6-15(24-2)16(10-13)25(21,22)17-8-7-11-3-4-12(18(19)20)9-14(11)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHVARRWLLWKXFRG-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.36
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole

1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole (PubChem CID 3852643) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
PubChem CID3852643
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C16H16N2O6S/c1-23-13-5-6-15(24-2)16(10-13)25(21,22)17-8-7-11-3-4-12(18(19)20)9-14(11)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHVARRWLLWKXFRG-UHFFFAOYSA-N
XLogP2.36
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291977
1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 110287385
6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
CID 8803994
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
CID 110427320
2-(2-fluoro-4-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273552
1-[2-(4-fluorophenoxy)ethylsulfonyl]-6-nitro-2,3-dihydroindole
CID 110306404

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole (CID 3852643) is 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole is COc1ccc(OC)c(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
The InChIKey is HVARRWLLWKXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-23-13-5-6-15(24-2)16(10-13)25(21,22)17-8-7-11-3-4-12(18(19)20)9-14(11)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole?
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole has a molecular weight of 364.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole is sourced from PubChem (CID 3852643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).