1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate

C133H164Br4Cl5N17O39S9 — CID 160831587

About 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate

1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate (PubChem CID 160831587) has the molecular formula C133H164Br4Cl5N17O39S9 and a molecular weight of 3410.34 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate.

Molecular Properties

• Compound Name: 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate
• PubChem CID: 160831587
• Molecular Formula: C133H164Br4Cl5N17O39S9
• Molecular Weight: 3410.34 g/mol
• Exact Mass: 3401.40
• IUPAC Name: 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate
• SMILES: C=C(C)N1CCc2cc(Cl)c(S(=O)(=O)NCCC(=O)OC)cc21.C=C(C)N1CCc2cc(Cl)c(S(=O)(=O)Nc3cnccn3)cc21.CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)N3CCCC3)cc21.COC(=O)CCCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.COCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COCCN(CCOC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O
• InChI: InChI=1S/C16H23BrN2O5S.C16H23ClN2O5S.C15H18BrNO5S.C15H15ClN4O2S.C15H19ClN2O4S.C14H17BrN2O5S.C14H16BrNO5S.C14H17ClN2O3S.C14H16ClNO5S/c2*1-12(20)19-5-4-13-10-14(17)16(11-15(13)19)25(21,22)18(6-8-23-2)7-9-24-3;1-10(18)17-6-5-11-8-12(16)14(9-13(11)17)23(20,21)7-3-4-15(19)22-2;1-10(2)20-6-3-11-7-12(16)14(8-13(11)20)23(21,22)19-15-9-17-4-5-18-15;1-10(2)18-7-5-11-8-12(16)14(9-13(11)18)23(20,21)17-6-4-15(19)22-3;1-9(18)17-6-4-10-7-11(15)13(8-12(10)17)23(20,21)16-5-3-14(19)22-2;1-9(17)16-5-3-10-7-11(15)13(8-12(10)16)22(19,20)6-4-14(18)21-2;1-10(18)17-7-4-11-8-12(15)14(9-13(11)17)21(19,20)16-5-2-3-6-16;1-9(17)16-5-3-10-7-11(15)13(8-12(10)16)22(19,20)6-4-14(18)21-2/h2*10-11H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;4-5,7-9H,1,3,6H2,2H3,(H,18,19);8-9,17H,1,4-7H2,2-3H3;7-8,16H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,2-7H2,1H3;7-8H,3-6H2,1-2H3
• InChIKey: SGWDBGUNVJBIBH-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 695.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3410.34
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate?

The IUPAC name of 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate (CID 160831587) is 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate.

What is the SMILES notation for 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate?

The canonical SMILES for 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate is C=C(C)N1CCc2cc(Cl)c(S(=O)(=O)NCCC(=O)OC)cc21.C=C(C)N1CCc2cc(Cl)c(S(=O)(=O)Nc3cnccn3)cc21.CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)N3CCCC3)cc21.COC(=O)CCCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.COCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.COCCN(CCOC)S(=O)(=O)c1cc2c(cc1Cl)CCN2C(C)=O.

What is the InChIKey of 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate?

The InChIKey is SGWDBGUNVJBIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O5S.C16H23ClN2O5S.C15H18BrNO5S.C15H15ClN4O2S.C15H19ClN2O4S.C14H17BrN2O5S.C14H16BrNO5S.C14H17ClN2O3S.C14H16ClNO5S/c2*1-12(20)19-5-4-13-10-14(17)16(11-15(13)19)25(21,22)18(6-8-23-2)7-9-24-3;1-10(18)17-6-5-11-8-12(16)14(9-13(11)17)23(20,21)7-3-4-15(19)22-2;1-10(2)20-6-3-11-7-12(16)14(8-13(11)20)23(21,22)19-15-9-17-4-5-18-15;1-10(2)18-7-5-11-8-12(16)14(9-13(11)18)23(20,21)17-6-4-15(19)22-3;1-9(18)17-6-4-10-7-11(15)13(8-12(10)17)23(20,21)16-5-3-14(19)22-2;1-9(17)16-5-3-10-7-11(15)13(8-12(10)16)22(19,20)6-4-14(18)21-2;1-10(18)17-7-4-11-8-12(15)14(9-13(11)17)21(19,20)16-5-2-3-6-16;1-9(17)16-5-3-10-7-11(15)13(8-12(10)16)22(19,20)6-4-14(18)21-2/h2*10-11H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;4-5,7-9H,1,3,6H2,2H3,(H,18,19);8-9,17H,1,4-7H2,2-3H3;7-8,16H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,2-7H2,1H3;7-8H,3-6H2,1-2H3.

What are the key properties of 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate?

1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate has a molecular weight of 3410.34 g/mol, XLogP of 16.68, 46 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-5-bromo-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide;5-chloro-1-prop-1-en-2-yl-N-pyrazin-2-yl-2,3-dihydroindole-6-sulfonamide;1-(5-chloro-6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]propanoate;methyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]butanoate;methyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(1-acetyl-5-chloro-2,3-dihydroindol-6-yl)sulfonyl]propanoate;methyl 3-[(5-chloro-1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)sulfonylamino]propanoate is sourced from PubChem (CID 160831587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).