4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide

C24H22F3NO3S — CID 2728259

IUPAC4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3c2CCC3)cc1
InChIInChI=1S/C24H22F3NO3S/c1-15-6-10-18(11-7-15)32(29,30)28-21-14-17(24(25,26)27)9-13-23(21)31-22-12-8-16(2)19-4-3-5-20(19)22/h6-14,28H,3-5H2,1-2H3
InChIKeyAQYKMCLERVPGBZ-UHFFFAOYSA-N
MW461.51 g/mol
LogP6.40
Rot. Bonds5

About 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2728259) has the molecular formula C24H22F3NO3S and a molecular weight of 461.51 g/mol. Its IUPAC name is 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2728259
Molecular FormulaC24H22F3NO3S
Molecular Weight461.51 g/mol
Exact Mass461.13
IUPAC Name4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3c2CCC3)cc1
InChIInChI=1S/C24H22F3NO3S/c1-15-6-10-18(11-7-15)32(29,30)28-21-14-17(24(25,26)27)9-13-23(21)31-22-12-8-16(2)19-4-3-5-20(19)22/h6-14,28H,3-5H2,1-2H3
InChIKeyAQYKMCLERVPGBZ-UHFFFAOYSA-N
XLogP6.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CID 3767572
N-(6-phenoxyindan-5-yl)methanesulfonamide
CID 3018586
4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2728267
N-(6-(2,4-difluorophenoxy)indan-5-yl)methanesulfonamide
CID 133731
4'-methoxy-N-(2-methoxyphenyl)-[1,1'-biphenyl]-4-sulfonamide
CID 1306301
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxynaphthalene-1-sulfonamide
CID 991014
2-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]-5-nitrobenzenesulfonamide
CID 2728268
N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11213977
N-(2,3-dihydro-1H-inden-4-yl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11386467
N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11466151
N-[6-(2-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 12887095
N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 12887096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2728259) is 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3c2CCC3)cc1.
What is the InChIKey of 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is AQYKMCLERVPGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3S/c1-15-6-10-18(11-7-15)32(29,30)28-21-14-17(24(25,26)27)9-13-23(21)31-22-12-8-16(2)19-4-3-5-20(19)22/h6-14,28H,3-5H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 461.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).