2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide

C22H20F4N4O3S2 — CID 91352462

IUPAC2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)N(c1nncs1)S(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(C(F)(F)F)cc1F)C2
InChIInChI=1S/C22H20F4N4O3S2/c1-12(2)30(21-29-27-11-34-21)35(32,33)17-5-3-13-7-16(8-14(13)9-17)28-20(31)18-6-4-15(10-19(18)23)22(24,25)26/h3-6,9-12,16H,7-8H2,1-2H3,(H,28,31)
InChIKeyAWWTWLGQNAUAPZ-UHFFFAOYSA-N
MW528.55 g/mol
LogP4.20
Rot. Bonds6

About 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide

2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 91352462) has the molecular formula C22H20F4N4O3S2 and a molecular weight of 528.55 g/mol. Its IUPAC name is 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID91352462
Molecular FormulaC22H20F4N4O3S2
Molecular Weight528.55 g/mol
Exact Mass528.09
IUPAC Name2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)N(c1nncs1)S(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(C(F)(F)F)cc1F)C2
InChIInChI=1S/C22H20F4N4O3S2/c1-12(2)30(21-29-27-11-34-21)35(32,33)17-5-3-13-7-16(8-14(13)9-17)28-20(31)18-6-4-15(10-19(18)23)22(24,25)26/h3-6,9-12,16H,7-8H2,1-2H3,(H,28,31)
InChIKeyAWWTWLGQNAUAPZ-UHFFFAOYSA-N
XLogP4.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide (CID 91352462) is 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide is CC(C)N(c1nncs1)S(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(C(F)(F)F)cc1F)C2.
What is the InChIKey of 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is AWWTWLGQNAUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3S2/c1-12(2)30(21-29-27-11-34-21)35(32,33)17-5-3-13-7-16(8-14(13)9-17)28-20(31)18-6-4-15(10-19(18)23)22(24,25)26/h3-6,9-12,16H,7-8H2,1-2H3,(H,28,31).
What are the key properties of 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide?
2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 528.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]-2,3-dihydro-1H-inden-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91352462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).