benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane

C101H110ClMnN11O15S4 — CID 158066069

About benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane

benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane (PubChem CID 158066069) has the molecular formula C101H110ClMnN11O15S4 and a molecular weight of 1936.71 g/mol. Its IUPAC name is benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane.

Molecular Properties

• Compound Name: benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane
• PubChem CID: 158066069
• Molecular Formula: C101H110ClMnN11O15S4
• Molecular Weight: 1936.71 g/mol
• Exact Mass: 1934.61
• IUPAC Name: benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane
• SMILES: C.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)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2
• InChI: InChI=1S/C16H15NO3S.C16H17NO2S.C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C10H13N.C8H9N.C6H5ClO2S.CH4.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;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;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;;;;/h2-8,11H,9-10H2,1H3;3-9,12H,2,10-11H2,1H3;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;1-4,9H,5-6H2;1-5H;1H4
• InChIKey: PBVAJFJETHCMOY-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 377.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1936.71
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane?

The IUPAC name of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane (CID 158066069) is benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane.

What is the SMILES notation for benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane?

The canonical SMILES for benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane is C.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)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2.

What is the InChIKey of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane?

The InChIKey is PBVAJFJETHCMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S.C16H17NO2S.C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C10H13N.C8H9N.C6H5ClO2S.CH4.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;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;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;;;;/h2-8,11H,9-10H2,1H3;3-9,12H,2,10-11H2,1H3;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;1-4,9H,5-6H2;1-5H;1H4;;;.

What are the key properties of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane?

benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane has a molecular weight of 1936.71 g/mol, XLogP of 21.04, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone;1-(benzenesulfonyl)-5-ethyl-2,3-dihydroindole;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;methane is sourced from PubChem (CID 158066069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).