4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide

C78H63F3N6O12S4 — CID 157175191

IUPAC4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide
SMILESCn1cc(-c2ccc(-c3ccccc3)cc2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2cccc(C(F)(F)F)c2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2csc3ccccc23)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C29H24N2O4S.C25H20N2O4S2.C24H19F3N2O4S/c1-31-18-27(23-10-8-22(9-11-23)21-5-3-2-4-6-21)26-17-20(7-16-28(26)31)19-36(34,35)25-14-12-24(13-15-25)29(32)30-33;1-27-13-21(22-14-32-24-5-3-2-4-19(22)24)20-12-16(6-11-23(20)27)15-33(30,31)18-9-7-17(8-10-18)25(28)26-29;1-29-13-21(17-3-2-4-18(12-17)24(25,26)27)20-11-15(5-10-22(20)29)14-34(32,33)19-8-6-16(7-9-19)23(30)28-31/h2-18,33H,19H2,1H3,(H,30,32);2-14,29H,15H2,1H3,(H,26,28);2-13,31H,14H2,1H3,(H,28,30)
InChIKeyANXRQXAPKASWTR-UHFFFAOYSA-N
MW1461.65 g/mol
LogP15.72
Rot. Bonds16

About 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide

4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide (PubChem CID 157175191) has the molecular formula C78H63F3N6O12S4 and a molecular weight of 1461.65 g/mol. Its IUPAC name is 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide.

Molecular Properties

Compound Name4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide
PubChem CID157175191
Molecular FormulaC78H63F3N6O12S4
Molecular Weight1461.65 g/mol
Exact Mass1460.33
IUPAC Name4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide
SMILESCn1cc(-c2ccc(-c3ccccc3)cc2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2cccc(C(F)(F)F)c2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2csc3ccccc23)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C29H24N2O4S.C25H20N2O4S2.C24H19F3N2O4S/c1-31-18-27(23-10-8-22(9-11-23)21-5-3-2-4-6-21)26-17-20(7-16-28(26)31)19-36(34,35)25-14-12-24(13-15-25)29(32)30-33;1-27-13-21(22-14-32-24-5-3-2-4-19(22)24)20-12-16(6-11-23(20)27)15-33(30,31)18-9-7-17(8-10-18)25(28)26-29;1-29-13-21(17-3-2-4-18(12-17)24(25,26)27)20-11-15(5-10-22(20)29)14-34(32,33)19-8-6-16(7-9-19)23(30)28-31/h2-18,33H,19H2,1H3,(H,30,32);2-14,29H,15H2,1H3,(H,26,28);2-13,31H,14H2,1H3,(H,28,30)
InChIKeyANXRQXAPKASWTR-UHFFFAOYSA-N
XLogP15.72
TPSA265.20 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001461.65
LogP ≤ 515.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(3-chloro-4-fluorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;4-[[3-(3-chlorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[(1-methyl-3-naphthalen-2-ylindol-5-yl)methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]methylsulfonyl]benzamide
CID 157360555
N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
CID 138634373
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
CID 138634359
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
4-[[5-(1-benzothiophen-3-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135358774
(2S)-3-(4-phenylphenyl)-2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718027
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 88850560
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30806120
2-[3-[4-(acetamidomethyl)phenyl]phenyl]-N-hydroxy-2-phenylacetamide;N-hydroxy-2-phenyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetamide;N-hydroxy-2-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]acetamide
CID 159319090
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide?
The IUPAC name of 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide (CID 157175191) is 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide.
What is the SMILES notation for 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide?
The canonical SMILES for 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide is Cn1cc(-c2ccc(-c3ccccc3)cc2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2cccc(C(F)(F)F)c2)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.Cn1cc(-c2csc3ccccc23)c2cc(CS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.
What is the InChIKey of 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide?
The InChIKey is ANXRQXAPKASWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4S.C25H20N2O4S2.C24H19F3N2O4S/c1-31-18-27(23-10-8-22(9-11-23)21-5-3-2-4-6-21)26-17-20(7-16-28(26)31)19-36(34,35)25-14-12-24(13-15-25)29(32)30-33;1-27-13-21(22-14-32-24-5-3-2-4-19(22)24)20-12-16(6-11-23(20)27)15-33(30,31)18-9-7-17(8-10-18)25(28)26-29;1-29-13-21(17-3-2-4-18(12-17)24(25,26)27)20-11-15(5-10-22(20)29)14-34(32,33)19-8-6-16(7-9-19)23(30)28-31/h2-18,33H,19H2,1H3,(H,30,32);2-14,29H,15H2,1H3,(H,26,28);2-13,31H,14H2,1H3,(H,28,30).
What are the key properties of 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide?
4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide has a molecular weight of 1461.65 g/mol, XLogP of 15.72, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide is sourced from PubChem (CID 157175191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).