6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide

C16H13F7N2O3S — CID 171649871

IUPAC6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(OC(F)F)C2
InChIInChI=1S/C16H13F7N2O3S/c17-10-5-13(11(18)4-9(10)16(21,22)23)25-29(26,27)14-6-24-12-3-7(28-15(19)20)1-2-8(12)14/h4-7,15,24-25H,1-3H2
InChIKeyLIHOJCHHGGUTOF-UHFFFAOYSA-N
MW446.34 g/mol
LogP4.21
Rot. Bonds5

About 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide

6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide (PubChem CID 171649871) has the molecular formula C16H13F7N2O3S and a molecular weight of 446.34 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
PubChem CID171649871
Molecular FormulaC16H13F7N2O3S
Molecular Weight446.34 g/mol
Exact Mass446.05
IUPAC Name6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(OC(F)F)C2
InChIInChI=1S/C16H13F7N2O3S/c17-10-5-13(11(18)4-9(10)16(21,22)23)25-29(26,27)14-6-24-12-3-7(28-15(19)20)1-2-8(12)14/h4-7,15,24-25H,1-3H2
InChIKeyLIHOJCHHGGUTOF-UHFFFAOYSA-N
XLogP4.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
CID 171649909
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine
CID 171649822
(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334423
5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
CID 166153951
(6S)-N-[4-bromo-5-(difluoromethyl)-2-fluorophenyl]-6-(difluoromethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334366
N-(2,5-difluoro-4-hydroxyphenyl)-6,6-difluoro-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334320
N-(4-bromo-2,5-difluorophenyl)-6,6-dioxo-1,4,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-3-sulfonamide
CID 177334477
(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334266
N-(4-bromo-2,5-difluorophenyl)-6-cyano-6-(trideuteriomethoxy)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334465
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
N-(4-cyano-2-fluorophenyl)-6-methoxy-6-methyl-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649847
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The IUPAC name of 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide (CID 171649871) is 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The canonical SMILES for 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(OC(F)F)C2.
What is the InChIKey of 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The InChIKey is LIHOJCHHGGUTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F7N2O3S/c17-10-5-13(11(18)4-9(10)16(21,22)23)25-29(26,27)14-6-24-12-3-7(28-15(19)20)1-2-8(12)14/h4-7,15,24-25H,1-3H2.
What are the key properties of 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide has a molecular weight of 446.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide is sourced from PubChem (CID 171649871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).