methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C49H56F6N4O7S2 — CID 158844132

IUPACmethane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESC.CO.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(O)c23)C(F)(F)F)c(C)c1.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1
InChIInChI=1S/C27H27F3N2O3S.C20H21F3N2O3S.CH4O.CH4/c1-17-12-18(2)26(19(3)13-17)36(33,34)32-24(27(28,29)30)14-21-15-31-22-10-7-11-23(25(21)22)35-16-20-8-5-4-6-9-20;1-11-7-12(2)19(13(3)8-11)29(27,28)25-17(20(21,22)23)9-14-10-24-15-5-4-6-16(26)18(14)15;1-2;/h4-13,15,24,31-32H,14,16H2,1-3H3;4-8,10,17,24-26H,9H2,1-3H3;2H,1H3;1H4
InChIKeyIYPNRGRHXULMQA-UHFFFAOYSA-N
MW991.13 g/mol
LogP10.62
Rot. Bonds13

About methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 158844132) has the molecular formula C49H56F6N4O7S2 and a molecular weight of 991.13 g/mol. Its IUPAC name is methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Namemethane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID158844132
Molecular FormulaC49H56F6N4O7S2
Molecular Weight991.13 g/mol
Exact Mass990.35
IUPAC Namemethane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESC.CO.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(O)c23)C(F)(F)F)c(C)c1.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1
InChIInChI=1S/C27H27F3N2O3S.C20H21F3N2O3S.CH4O.CH4/c1-17-12-18(2)26(19(3)13-17)36(33,34)32-24(27(28,29)30)14-21-15-31-22-10-7-11-23(25(21)22)35-16-20-8-5-4-6-9-20;1-11-7-12(2)19(13(3)8-11)29(27,28)25-17(20(21,22)23)9-14-10-24-15-5-4-6-16(26)18(14)15;1-2;/h4-13,15,24,31-32H,14,16H2,1-3H3;4-8,10,17,24-26H,9H2,1-3H3;2H,1H3;1H4
InChIKeyIYPNRGRHXULMQA-UHFFFAOYSA-N
XLogP10.62
TPSA173.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.13
LogP ≤ 510.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]-4-[4-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexylsulfamoyl]phenyl]benzenesulfonamide
CID 9897637
N-[(2S)-1-(1H-indol-4-yloxy)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57651533
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 164612125
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 11669350
N-[1-(4-benzyloxy-1H-indol-3-ylmethyl)-2,2,2-trifluoroethyl]-2,4,6-trimethylbenzenesulfonamide
CID 11684972
2,4,6-Trimethyl-N-[2,2,2-trifluoro-1-(4-hydroxy-1H-indol-3-ylmethyl)ethyl]benzenesulfonamide
CID 57473934
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxyindol-1-yl)propan-2-yl]benzenesulfonamide
CID 57474018
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-phenylmethoxyindol-1-yl)propan-2-yl]benzenesulfonamide
CID 57474019
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 71050401
N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 89810856
4-[1-(benzenesulfonyl)-6-fluoro-4-methoxyindol-3-yl]-2-(1-benzyl-7-fluoro-4-phenylmethoxyindol-3-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
CID 123151814
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfinamide
CID 143255335

Frequently Asked Questions

What is the IUPAC name of methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 158844132) is methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is C.CO.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(O)c23)C(F)(F)F)c(C)c1.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1.
What is the InChIKey of methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is IYPNRGRHXULMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3S.C20H21F3N2O3S.CH4O.CH4/c1-17-12-18(2)26(19(3)13-17)36(33,34)32-24(27(28,29)30)14-21-15-31-22-10-7-11-23(25(21)22)35-16-20-8-5-4-6-9-20;1-11-7-12(2)19(13(3)8-11)29(27,28)25-17(20(21,22)23)9-14-10-24-15-5-4-6-16(26)18(14)15;1-2;/h4-13,15,24,31-32H,14,16H2,1-3H3;4-8,10,17,24-26H,9H2,1-3H3;2H,1H3;1H4.
What are the key properties of methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 991.13 g/mol, XLogP of 10.62, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 158844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).