benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole

C58H61ClMnN8O10S2 — CID 159635601

IUPACbenzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
SMILESCCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C8H9N.C6H5ClO2S.Mn.2O/c16-18(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;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;;;/h1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;1-4,9H,5-6H2;1-5H;;;
InChIKeyRSYLIJRQGQPANZ-UHFFFAOYSA-N
MW1184.70 g/mol
LogP12.54
Rot. Bonds8

About benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole

benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole (PubChem CID 159635601) has the molecular formula C58H61ClMnN8O10S2 and a molecular weight of 1184.70 g/mol. Its IUPAC name is benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
PubChem CID159635601
Molecular FormulaC58H61ClMnN8O10S2
Molecular Weight1184.70 g/mol
Exact Mass1183.30
IUPAC Namebenzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole
SMILESCCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)N1CCc2ccccc21.O=[Mn]=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C8H9N.C6H5ClO2S.Mn.2O/c16-18(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;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;;;/h1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;1-4,9H,5-6H2;1-5H;;;
InChIKeyRSYLIJRQGQPANZ-UHFFFAOYSA-N
XLogP12.54
TPSA273.60 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.70
LogP ≤ 512.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole (CID 159635601) is benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole is CCc1cc2c(cc1[N+](=O)[O-])NCC2.CCc1cc2cc[nH]c2cc1N.CCc1cc2cc[nH]c2cc1[N+](=O)[O-].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;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
The InChIKey is RSYLIJRQGQPANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S.C10H12N2O2.C10H10N2O2.C10H12N2.C8H9N.C6H5ClO2S.Mn.2O/c16-18(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;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;;;/h1-9H,10-11H2;5-6,11H,2-4H2,1H3;3-6,11H,2H2,1H3;3-6,12H,2,11H2,1H3;1-4,9H,5-6H2;1-5H;;;.
What are the key properties of benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;5-ethyl-1H-indol-6-amine;5-ethyl-6-nitro-2,3-dihydro-1H-indole;5-ethyl-6-nitro-1H-indole?
benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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 1184.70 g/mol, XLogP of 12.54, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride;1-(benzenesulfonyl)-2,3-dihydroindole;2,3-dihydro-1H-indole;dioxomanganese;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 159635601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).