1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide

C15H13F3N2O5S2 — CID 31781525

IUPAC1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O5S2/c16-15(17,18)25-11-2-1-3-13(9-11)27(23,24)20-7-6-10-8-12(26(19,21)22)4-5-14(10)20/h1-5,8-9H,6-7H2,(H2,19,21,22)
InChIKeyPPSKMBHIPNMEHV-UHFFFAOYSA-N
MW422.41 g/mol
LogP1.98
Rot. Bonds4

About 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide

1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 31781525) has the molecular formula C15H13F3N2O5S2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID31781525
Molecular FormulaC15H13F3N2O5S2
Molecular Weight422.41 g/mol
Exact Mass422.02
IUPAC Name1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O5S2/c16-15(17,18)25-11-2-1-3-13(9-11)27(23,24)20-7-6-10-8-12(26(19,21)22)4-5-14(10)20/h1-5,8-9H,6-7H2,(H2,19,21,22)
InChIKeyPPSKMBHIPNMEHV-UHFFFAOYSA-N
XLogP1.98
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 56561787
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 167932774
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
CID 30287093
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 31781525) is 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PPSKMBHIPNMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O5S2/c16-15(17,18)25-11-2-1-3-13(9-11)27(23,24)20-7-6-10-8-12(26(19,21)22)4-5-14(10)20/h1-5,8-9H,6-7H2,(H2,19,21,22).
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide?
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31781525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).