1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone

C153H142BrCl3O36S8 — CID 158133616

IUPAC1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc2c(Br)cc(CS(=O)(=O)c3ccccc3)cc12.CC(=O)c1c(C)oc2c(Cl)cc(CS(=O)(=O)c3ccc(C)cc3C)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(Cl)cc3)cc12.CCOC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CCc1ccc(S(=O)(=O)Cc2cc(Cl)c3oc(C)c(C(C)=O)c3c2)cc1.COC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/2C20H19ClO4S.C20H20O6S.2C19H18O5S.C19H18O4S.C18H15BrO4S.C18H15ClO4S/c1-11-5-6-18(12(2)7-11)26(23,24)10-15-8-16-19(13(3)22)14(4)25-20(16)17(21)9-15;1-4-14-5-7-16(8-6-14)26(23,24)11-15-9-17-19(12(2)22)13(3)25-20(17)18(21)10-15;1-3-25-20(22)19-13(2)26-18-9-6-15(10-17(18)19)12-27(23,24)16-7-4-14(11-21)5-8-16;1-12-4-7-15(8-5-12)25(21,22)11-14-6-9-17-16(10-14)18(13(2)24-17)19(20)23-3;1-12(21)19-13(2)24-18-8-5-15(9-17(18)19)11-25(22,23)16-6-3-14(10-20)4-7-16;1-12-4-7-16(8-5-12)24(21,22)11-15-6-9-18-17(10-15)19(13(2)20)14(3)23-18;1-11(20)17-12(2)23-18-15(17)8-13(9-16(18)19)10-24(21,22)14-6-4-3-5-7-14;1-11(20)18-12(2)23-17-8-3-13(9-16(17)18)10-24(21,22)15-6-4-14(19)5-7-15/h5-9H,10H2,1-4H3;5-10H,4,11H2,1-3H3;4-10,21H,3,11-12H2,1-2H3;4-10H,11H2,1-3H3;3-9,20H,10-11H2,1-2H3;4-10H,11H2,1-3H3;2*3-9H,10H2,1-2H3
InChIKeyFTBQLXZIHONMQH-UHFFFAOYSA-N
MW2999.58 g/mol
LogP34.40
Rot. Bonds36

About 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone

1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone (PubChem CID 158133616) has the molecular formula C153H142BrCl3O36S8 and a molecular weight of 2999.58 g/mol. Its IUPAC name is 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone
PubChem CID158133616
Molecular FormulaC153H142BrCl3O36S8
Molecular Weight2999.58 g/mol
Exact Mass2994.53
IUPAC Name1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc2c(Br)cc(CS(=O)(=O)c3ccccc3)cc12.CC(=O)c1c(C)oc2c(Cl)cc(CS(=O)(=O)c3ccc(C)cc3C)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(Cl)cc3)cc12.CCOC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CCc1ccc(S(=O)(=O)Cc2cc(Cl)c3oc(C)c(C(C)=O)c3c2)cc1.COC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/2C20H19ClO4S.C20H20O6S.2C19H18O5S.C19H18O4S.C18H15BrO4S.C18H15ClO4S/c1-11-5-6-18(12(2)7-11)26(23,24)10-15-8-16-19(13(3)22)14(4)25-20(16)17(21)9-15;1-4-14-5-7-16(8-6-14)26(23,24)11-15-9-17-19(12(2)22)13(3)25-20(17)18(21)10-15;1-3-25-20(22)19-13(2)26-18-9-6-15(10-17(18)19)12-27(23,24)16-7-4-14(11-21)5-8-16;1-12-4-7-15(8-5-12)25(21,22)11-14-6-9-17-16(10-14)18(13(2)24-17)19(20)23-3;1-12(21)19-13(2)24-18-8-5-15(9-17(18)19)11-25(22,23)16-6-3-14(10-20)4-7-16;1-12-4-7-16(8-5-12)24(21,22)11-15-6-9-18-17(10-15)19(13(2)20)14(3)23-18;1-11(20)17-12(2)23-18-15(17)8-13(9-16(18)19)10-24(21,22)14-6-4-3-5-7-14;1-11(20)18-12(2)23-17-8-3-13(9-16(17)18)10-24(21,22)15-6-4-14(19)5-7-15/h5-9H,10H2,1-4H3;5-10H,4,11H2,1-3H3;4-10,21H,3,11-12H2,1-2H3;4-10H,11H2,1-3H3;3-9,20H,10-11H2,1-2H3;4-10H,11H2,1-3H3;2*3-9H,10H2,1-2H3
InChIKeyFTBQLXZIHONMQH-UHFFFAOYSA-N
XLogP34.40
TPSA573.72 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002999.58
LogP ≤ 534.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate
CID 157318510
1-[5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone
CID 160839014
benzyl 5-(benzenesulfonylmethyl)-2-methyl-1-benzofuran-3-carboxylate
CID 157121027
1-[2-methyl-5-[(2-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone
CID 160839013
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
ethyl 6-bromo-2-methyl-5-[2-(4-methylphenyl)sulfonylethyl]-1-benzofuran-3-carboxylate
CID 126592595
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-[acetyl-(2,4-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 992525
ethyl 5-[(2-chlorobenzoyl)-(4-ethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 23935281
ethyl 5-[[2-(4-chlorobenzoyl)benzoyl]-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 23856043
methyl 5-[butanoyl-(4-chlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 1110200
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone?
The IUPAC name of 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone (CID 158133616) is 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone is CC(=O)c1c(C)oc2c(Br)cc(CS(=O)(=O)c3ccccc3)cc12.CC(=O)c1c(C)oc2c(Cl)cc(CS(=O)(=O)c3ccc(C)cc3C)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(Cl)cc3)cc12.CCOC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(CO)cc3)cc12.CCc1ccc(S(=O)(=O)Cc2cc(Cl)c3oc(C)c(C(C)=O)c3c2)cc1.COC(=O)c1c(C)oc2ccc(CS(=O)(=O)c3ccc(C)cc3)cc12.
What is the InChIKey of 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone?
The InChIKey is FTBQLXZIHONMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19ClO4S.C20H20O6S.2C19H18O5S.C19H18O4S.C18H15BrO4S.C18H15ClO4S/c1-11-5-6-18(12(2)7-11)26(23,24)10-15-8-16-19(13(3)22)14(4)25-20(16)17(21)9-15;1-4-14-5-7-16(8-6-14)26(23,24)11-15-9-17-19(12(2)22)13(3)25-20(17)18(21)10-15;1-3-25-20(22)19-13(2)26-18-9-6-15(10-17(18)19)12-27(23,24)16-7-4-14(11-21)5-8-16;1-12-4-7-15(8-5-12)25(21,22)11-14-6-9-17-16(10-14)18(13(2)24-17)19(20)23-3;1-12(21)19-13(2)24-18-8-5-15(9-17(18)19)11-25(22,23)16-6-3-14(10-20)4-7-16;1-12-4-7-16(8-5-12)24(21,22)11-15-6-9-18-17(10-15)19(13(2)20)14(3)23-18;1-11(20)17-12(2)23-18-15(17)8-13(9-16(18)19)10-24(21,22)14-6-4-3-5-7-14;1-11(20)18-12(2)23-17-8-3-13(9-16(17)18)10-24(21,22)15-6-4-14(19)5-7-15/h5-9H,10H2,1-4H3;5-10H,4,11H2,1-3H3;4-10,21H,3,11-12H2,1-2H3;4-10H,11H2,1-3H3;3-9,20H,10-11H2,1-2H3;4-10H,11H2,1-3H3;2*3-9H,10H2,1-2H3.
What are the key properties of 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone?
1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone has a molecular weight of 2999.58 g/mol, XLogP of 34.40, 36 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonylmethyl)-7-bromo-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(2,4-dimethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[7-chloro-5-[(4-ethylphenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;1-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;ethyl 5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-carboxylate;1-[5-[[4-(hydroxymethyl)phenyl]sulfonylmethyl]-2-methyl-1-benzofuran-3-yl]ethanone;methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate;1-[2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]ethanone is sourced from PubChem (CID 158133616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).