6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride

C50H53Br3ClN3O12S3 — CID 159849443

About 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride

6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride (PubChem CID 159849443) has the molecular formula C50H53Br3ClN3O12S3 and a molecular weight of 1259.35 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride
• PubChem CID: 159849443
• Molecular Formula: C50H53Br3ClN3O12S3
• Molecular Weight: 1259.35 g/mol
• Exact Mass: 1255.00
• IUPAC Name: 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-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)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
• InChI: InChI=1S/C17H18BrNO4S.C16H16BrNO4S.C11H10BrNO2.C6H9ClO2S/c1-4-5-17(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;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/h4,8-10H,1,5-7H2,2-3H3;3,7-9H,1,4-6H2,2H3,(H,19,20);3-5,13H,1-2H3;2H,1,3-5H2
• InChIKey: NPSWNTAVMPUGPA-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 217.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1259.35
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The IUPAC name of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride (CID 159849443) is 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride.

What is the SMILES notation for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The canonical SMILES for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-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)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.

What is the InChIKey of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

The InChIKey is NPSWNTAVMPUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S.C16H16BrNO4S.C11H10BrNO2.C6H9ClO2S/c1-4-5-17(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;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/h4,8-10H,1,5-7H2,2-3H3;3,7-9H,1,4-6H2,2H3,(H,19,20);3-5,13H,1-2H3;2H,1,3-5H2.

What are the key properties of 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride?

6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride has a molecular weight of 1259.35 g/mol, XLogP of 12.17, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 159849443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).