1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole

C15H12F3NO3S — CID 4806090

IUPAC1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)22-12-5-7-13(8-6-12)23(20,21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2
InChIKeyWTIBPXLSWDKBRB-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.34
Rot. Bonds3

About 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole

1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 4806090) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID4806090
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)22-12-5-7-13(8-6-12)23(20,21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2
InChIKeyWTIBPXLSWDKBRB-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole (CID 4806090) is 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is WTIBPXLSWDKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)22-12-5-7-13(8-6-12)23(20,21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole?
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 343.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 4806090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).