6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride

C90H111Br4ClN10O20S5 — CID 159331487

IUPAC6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride
SMILESCC(C)S(=O)(=O)Cl.CC(C)S(=O)(=O)N1CCc2c(C(=O)O)cc(Br)cc21.COC(=O)c1cc(Br)cc2c1CCN2.COC(=O)c1cc(Br)cc2c1CCN2S(=O)(=O)C(C)C.Cc1cc(C)c(CCC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1.Cc1cc(C)c(CCC(=O)c2cc(Br)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C31H39N5O4S.C21H25BrN2O4S.C13H16BrNO4S.C12H14BrNO4S.C10H10BrNO2.C3H7ClO2S/c1-20(2)41(39,40)36-11-10-26-27(29(37)8-7-25-21(3)16-22(4)33-31(25)38)17-24(18-28(26)36)23-6-9-30(32-19-23)35-14-12-34(5)13-15-35;1-12(2)29(27,28)24-8-7-17-18(10-15(22)11-19(17)24)20(25)6-5-16-13(3)9-14(4)23-21(16)26;1-8(2)20(17,18)15-5-4-10-11(13(16)19-3)6-9(14)7-12(10)15;1-7(2)19(17,18)14-4-3-9-10(12(15)16)5-8(13)6-11(9)14;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;1-3(2)7(4,5)6/h6,9,16-20H,7-8,10-15H2,1-5H3,(H,33,38);9-12H,5-8H2,1-4H3,(H,23,26);6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,15,16);4-5,12H,2-3H2,1H3;3H,1-2H3
InChIKeyLFACMQRJSYDTNZ-UHFFFAOYSA-N
MW2168.33 g/mol
LogP15.14
Rot. Bonds22

About 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride

6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride (PubChem CID 159331487) has the molecular formula C90H111Br4ClN10O20S5 and a molecular weight of 2168.33 g/mol. Its IUPAC name is 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride
PubChem CID159331487
Molecular FormulaC90H111Br4ClN10O20S5
Molecular Weight2168.33 g/mol
Exact Mass2162.30
IUPAC Name6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride
SMILESCC(C)S(=O)(=O)Cl.CC(C)S(=O)(=O)N1CCc2c(C(=O)O)cc(Br)cc21.COC(=O)c1cc(Br)cc2c1CCN2.COC(=O)c1cc(Br)cc2c1CCN2S(=O)(=O)C(C)C.Cc1cc(C)c(CCC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1.Cc1cc(C)c(CCC(=O)c2cc(Br)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C31H39N5O4S.C21H25BrN2O4S.C13H16BrNO4S.C12H14BrNO4S.C10H10BrNO2.C3H7ClO2S/c1-20(2)41(39,40)36-11-10-26-27(29(37)8-7-25-21(3)16-22(4)33-31(25)38)17-24(18-28(26)36)23-6-9-30(32-19-23)35-14-12-34(5)13-15-35;1-12(2)29(27,28)24-8-7-17-18(10-15(22)11-19(17)24)20(25)6-5-16-13(3)9-14(4)23-21(16)26;1-8(2)20(17,18)15-5-4-10-11(13(16)19-3)6-9(14)7-12(10)15;1-7(2)19(17,18)14-4-3-9-10(12(15)16)5-8(13)6-11(9)14;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;1-3(2)7(4,5)6/h6,9,16-20H,7-8,10-15H2,1-5H3,(H,33,38);9-12H,5-8H2,1-4H3,(H,23,26);6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,15,16);4-5,12H,2-3H2,1H3;3H,1-2H3
InChIKeyLFACMQRJSYDTNZ-UHFFFAOYSA-N
XLogP15.14
TPSA404.82 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002168.33
LogP ≤ 515.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride with MolForge

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Related Compounds

6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate
CID 158012323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride?
The IUPAC name of 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride (CID 159331487) is 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride.
What is the SMILES notation for 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride?
The canonical SMILES for 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride is CC(C)S(=O)(=O)Cl.CC(C)S(=O)(=O)N1CCc2c(C(=O)O)cc(Br)cc21.COC(=O)c1cc(Br)cc2c1CCN2.COC(=O)c1cc(Br)cc2c1CCN2S(=O)(=O)C(C)C.Cc1cc(C)c(CCC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1.Cc1cc(C)c(CCC(=O)c2cc(Br)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride?
The InChIKey is LFACMQRJSYDTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4S.C21H25BrN2O4S.C13H16BrNO4S.C12H14BrNO4S.C10H10BrNO2.C3H7ClO2S/c1-20(2)41(39,40)36-11-10-26-27(29(37)8-7-25-21(3)16-22(4)33-31(25)38)17-24(18-28(26)36)23-6-9-30(32-19-23)35-14-12-34(5)13-15-35;1-12(2)29(27,28)24-8-7-17-18(10-15(22)11-19(17)24)20(25)6-5-16-13(3)9-14(4)23-21(16)26;1-8(2)20(17,18)15-5-4-10-11(13(16)19-3)6-9(14)7-12(10)15;1-7(2)19(17,18)14-4-3-9-10(12(15)16)5-8(13)6-11(9)14;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;1-3(2)7(4,5)6/h6,9,16-20H,7-8,10-15H2,1-5H3,(H,33,38);9-12H,5-8H2,1-4H3,(H,23,26);6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,15,16);4-5,12H,2-3H2,1H3;3H,1-2H3.
What are the key properties of 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride?
6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride has a molecular weight of 2168.33 g/mol, XLogP of 15.14, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride is sourced from PubChem (CID 159331487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).