benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole

C128H133Cl2MnN13O19S6 — CID 158259074

IUPACbenzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.CCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].CCc1ccc2c(c1)CCN2.CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO3S.C16H17NO2S.2C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C10H13N.2C8H9N.2C6H5ClO2S.Mn.2O/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)21(19,20)15-5-3-2-4-6-15;1-2-13-8-9-16-14(12-13)10-11-17(16)20(18,19)15-6-4-3-5-7-15;2*16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;2*1-2-7-5-8-3-4-11-9(8)6-10(7)12(13)14;1-2-7-5-8-3-4-12-10(8)6-9(7)11;1-2-8-3-4-10-9(7-8)5-6-11-10;2*1-2-4-8-7(3-1)5-6-9-8;2*7-10(8,9)6-4-2-1-3-5-6;;;/h2-8,11H,9-10H2,1H3;3-9,12H,2,10-11H2,1H3;2*1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*1-4,9H,5-6H2;2*1-5H;;;
InChIKeyWELNDBBNMDVGJZ-UHFFFAOYSA-N
MW2475.79 g/mol
LogP26.11
Rot. Bonds18

About benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole

benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole (PubChem CID 158259074) has the molecular formula C128H133Cl2MnN13O19S6 and a molecular weight of 2475.79 g/mol. Its IUPAC name is benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole.

Molecular Properties

Compound Namebenzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
PubChem CID158259074
Molecular FormulaC128H133Cl2MnN13O19S6
Molecular Weight2475.79 g/mol
Exact Mass2472.69
IUPAC Namebenzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.CCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].CCc1ccc2c(c1)CCN2.CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO3S.C16H17NO2S.2C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C10H13N.2C8H9N.2C6H5ClO2S.Mn.2O/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)21(19,20)15-5-3-2-4-6-15;1-2-13-8-9-16-14(12-13)10-11-17(16)20(18,19)15-6-4-3-5-7-15;2*16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;2*1-2-7-5-8-3-4-11-9(8)6-10(7)12(13)14;1-2-7-5-8-3-4-12-10(8)6-9(7)11;1-2-8-3-4-10-9(7-8)5-6-11-10;2*1-2-4-8-7(3-1)5-6-9-8;2*7-10(8,9)6-4-2-1-3-5-6;;;/h2-8,11H,9-10H2,1H3;3-9,12H,2,10-11H2,1H3;2*1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*1-4,9H,5-6H2;2*1-5H;;;
InChIKeyWELNDBBNMDVGJZ-UHFFFAOYSA-N
XLogP26.11
TPSA461.01 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002475.79
LogP ≤ 526.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
The IUPAC name of benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole (CID 158259074) is benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole.
What is the SMILES notation for benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
The canonical SMILES for benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole is CC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.CCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].CCc1ccc2c(c1)CCN2.CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.
What is the InChIKey of benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
The InChIKey is WELNDBBNMDVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S.C16H17NO2S.2C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C10H13N.2C8H9N.2C6H5ClO2S.Mn.2O/c1-12(18)13-7-8-16-14(11-13)9-10-17(16)21(19,20)15-5-3-2-4-6-15;1-2-13-8-9-16-14(12-13)10-11-17(16)20(18,19)15-6-4-3-5-7-15;2*16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;2*1-2-7-5-8-3-4-11-9(8)6-10(7)12(13)14;1-2-7-5-8-3-4-12-10(8)6-9(7)11;1-2-8-3-4-10-9(7-8)5-6-11-10;2*1-2-4-8-7(3-1)5-6-9-8;2*7-10(8,9)6-4-2-1-3-5-6;;;/h2-8,11H,9-10H2,1H3;3-9,12H,2,10-11H2,1H3;2*1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*1-4,9H,5-6H2;2*1-5H;;;.
What are the key properties of benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole has a molecular weight of 2475.79 g/mol, XLogP of 26.11, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-2,3-dihydroindole);1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;bis(2,3-dihydro-1H-indole);dioxomanganese;5-ethyl-2,3-dihydro-1H-indole;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole is sourced from PubChem (CID 158259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).