6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride

C71H88Br4ClN5O21S4 — CID 158915333

IUPAC6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)C2CCOCC2)c2cc(Br)cc(C(=O)O)c21.COC(=O)c1cc(Br)cc2c1C(C)CN2.COC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.O=S(=O)(Cl)C1CCOCC1
InChIInChI=1S/C24H29BrN2O6S.C16H20BrNO5S.C15H18BrNO5S.C11H12BrNO2.C5H9ClO3S/c1-14-13-27(34(30,31)17-6-8-33-9-7-17)20-12-16(25)11-19(23(14)20)21(28)5-4-18-22(32-3)10-15(2)26-24(18)29;1-10-9-18(24(20,21)12-3-5-23-6-4-12)14-8-11(17)7-13(15(10)14)16(19)22-2;1-9-8-17(23(20,21)11-2-4-22-5-3-11)13-7-10(16)6-12(14(9)13)15(18)19;1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2;6-10(7,8)5-1-3-9-4-2-5/h10-12,14,17H,4-9,13H2,1-3H3,(H,26,29);7-8,10,12H,3-6,9H2,1-2H3;6-7,9,11H,2-5,8H2,1H3,(H,18,19);3-4,6,13H,5H2,1-2H3;5H,1-4H2
InChIKeyJHDUDRAHMQQWKS-UHFFFAOYSA-N
MW1830.84 g/mol
LogP12.45
Rot. Bonds15

About 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride

6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride (PubChem CID 158915333) has the molecular formula C71H88Br4ClN5O21S4 and a molecular weight of 1830.84 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride
PubChem CID158915333
Molecular FormulaC71H88Br4ClN5O21S4
Molecular Weight1830.84 g/mol
Exact Mass1825.13
IUPAC Name6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)C2CCOCC2)c2cc(Br)cc(C(=O)O)c21.COC(=O)c1cc(Br)cc2c1C(C)CN2.COC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.O=S(=O)(Cl)C1CCOCC1
InChIInChI=1S/C24H29BrN2O6S.C16H20BrNO5S.C15H18BrNO5S.C11H12BrNO2.C5H9ClO3S/c1-14-13-27(34(30,31)17-6-8-33-9-7-17)20-12-16(25)11-19(23(14)20)21(28)5-4-18-22(32-3)10-15(2)26-24(18)29;1-10-9-18(24(20,21)12-3-5-23-6-4-12)14-8-11(17)7-13(15(10)14)16(19)22-2;1-9-8-17(23(20,21)11-2-4-22-5-3-11)13-7-10(16)6-12(14(9)13)15(18)19;1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2;6-10(7,8)5-1-3-9-4-2-5/h10-12,14,17H,4-9,13H2,1-3H3,(H,26,29);7-8,10,12H,3-6,9H2,1-2H3;6-7,9,11H,2-5,8H2,1H3,(H,18,19);3-4,6,13H,5H2,1-2H3;5H,1-4H2
InChIKeyJHDUDRAHMQQWKS-UHFFFAOYSA-N
XLogP12.45
TPSA344.29 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.84
LogP ≤ 512.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride with MolForge

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Related Compounds

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
CID 159549848
3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 149492900
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide
CID 142345646
methyl 6-bromo-3-methyl-1-propan-2-ylsulfanyl-2,3-dihydroindole-4-carboxylate
CID 142345647
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159277315
methyl 5-bromo-3-methoxy-2-pentylbenzoate
CID 46846009
3-[3-[8-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-7-methylpyrrolo[1,2-a]pyrazin-6-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 160520062
3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 148686072
5-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-3-(oxan-4-ylamino)benzamide
CID 130460089
3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 161395557
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 123545514
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide
CID 139311433

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride?
The IUPAC name of 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride (CID 158915333) is 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride.
What is the SMILES notation for 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride?
The canonical SMILES for 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride is CC1CN(S(=O)(=O)C2CCOCC2)c2cc(Br)cc(C(=O)O)c21.COC(=O)c1cc(Br)cc2c1C(C)CN2.COC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Br)cc2c1C(C)CN2S(=O)(=O)C1CCOCC1.O=S(=O)(Cl)C1CCOCC1.
What is the InChIKey of 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride?
The InChIKey is JHDUDRAHMQQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O6S.C16H20BrNO5S.C15H18BrNO5S.C11H12BrNO2.C5H9ClO3S/c1-14-13-27(34(30,31)17-6-8-33-9-7-17)20-12-16(25)11-19(23(14)20)21(28)5-4-18-22(32-3)10-15(2)26-24(18)29;1-10-9-18(24(20,21)12-3-5-23-6-4-12)14-8-11(17)7-13(15(10)14)16(19)22-2;1-9-8-17(23(20,21)11-2-4-22-5-3-11)13-7-10(16)6-12(14(9)13)15(18)19;1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2;6-10(7,8)5-1-3-9-4-2-5/h10-12,14,17H,4-9,13H2,1-3H3,(H,26,29);7-8,10,12H,3-6,9H2,1-2H3;6-7,9,11H,2-5,8H2,1H3,(H,18,19);3-4,6,13H,5H2,1-2H3;5H,1-4H2.
What are the key properties of 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride?
6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride has a molecular weight of 1830.84 g/mol, XLogP of 12.45, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-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-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride is sourced from PubChem (CID 158915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).