6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride

C86H98Br5ClN6O19S4 — CID 159549847

About 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride

6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride (PubChem CID 159549847) has the molecular formula C86H98Br5ClN6O19S4 and a molecular weight of 2082.99 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride
• PubChem CID: 159549847
• Molecular Formula: C86H98Br5ClN6O19S4
• Molecular Weight: 2082.99 g/mol
• Exact Mass: 2076.14
• IUPAC Name: 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride
• SMILES: C=CCC1(S(=O)(=O)Cl)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(OC)cc(C)[nH]c4=O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)OC)cc(Br)cc32)CC1.COC(=O)c1cc(Br)cc2[nH]cc(C)c12.COC(=O)c1cc(Br)cc2c1C(C)CN2
• InChI: InChI=1S/C25H29BrN2O5S.C17H20BrNO4S.C16H18BrNO4S.C11H12BrNO2.C11H10BrNO2.C6H9ClO2S/c1-5-8-25(9-10-25)34(31,32)28-14-15(2)23-19(12-17(26)13-20(23)28)21(29)7-6-18-22(33-4)11-16(3)27-24(18)30;1-4-5-17(6-7-17)24(21,22)19-10-11(2)15-13(16(20)23-3)8-12(18)9-14(15)19;1-3-4-16(5-6-16)23(21,22)18-9-10(2)14-12(15(19)20)7-11(17)8-13(14)18;2*1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2;1-2-3-6(4-5-6)10(7,8)9/h5,11-13,15H,1,6-10,14H2,2-4H3,(H,27,30);4,8-9,11H,1,5-7,10H2,2-3H3;3,7-8,10H,1,4-6,9H2,2H3,(H,19,20);3-4,6,13H,5H2,1-2H3;3-5,13H,1-2H3;2H,1,3-5H2
• InChIKey: MFGCFUQLNQCIOV-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 349.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.99
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The IUPAC name of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride (CID 159549847) is 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride.

What is the SMILES notation for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The canonical SMILES for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride is C=CCC1(S(=O)(=O)Cl)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(OC)cc(C)[nH]c4=O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)OC)cc(Br)cc32)CC1.COC(=O)c1cc(Br)cc2[nH]cc(C)c12.COC(=O)c1cc(Br)cc2c1C(C)CN2.

What is the InChIKey of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The InChIKey is MFGCFUQLNQCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O5S.C17H20BrNO4S.C16H18BrNO4S.C11H12BrNO2.C11H10BrNO2.C6H9ClO2S/c1-5-8-25(9-10-25)34(31,32)28-14-15(2)23-19(12-17(26)13-20(23)28)21(29)7-6-18-22(33-4)11-16(3)27-24(18)30;1-4-5-17(6-7-17)24(21,22)19-10-11(2)15-13(16(20)23-3)8-12(18)9-14(15)19;1-3-4-16(5-6-16)23(21,22)18-9-10(2)14-12(15(19)20)7-11(17)8-13(14)18;2*1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2;1-2-3-6(4-5-6)10(7,8)9/h5,11-13,15H,1,6-10,14H2,2-4H3,(H,27,30);4,8-9,11H,1,5-7,10H2,2-3H3;3,7-8,10H,1,4-6,9H2,2H3,(H,19,20);3-4,6,13H,5H2,1-2H3;3-5,13H,1-2H3;2H,1,3-5H2.

What are the key properties of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride has a molecular weight of 2082.99 g/mol, XLogP of 19.19, 24 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 159549847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).