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

C20H16F5N3O2S — CID 171649909

IUPACN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(c1ccccn1)C2
InChIInChI=1S/C20H16F5N3O2S/c21-14-9-18(15(22)8-13(14)20(23,24)25)28-31(29,30)19-10-27-17-7-11(4-5-12(17)19)16-3-1-2-6-26-16/h1-3,6,8-11,27-28H,4-5,7H2
InChIKeyJZOFOQDRKRGBHJ-UHFFFAOYSA-N
MW457.42 g/mol
LogP4.78
Rot. Bonds4

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

N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide (PubChem CID 171649909) has the molecular formula C20H16F5N3O2S and a molecular weight of 457.42 g/mol. Its IUPAC name is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
PubChem CID171649909
Molecular FormulaC20H16F5N3O2S
Molecular Weight457.42 g/mol
Exact Mass457.09
IUPAC NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(c1ccccn1)C2
InChIInChI=1S/C20H16F5N3O2S/c21-14-9-18(15(22)8-13(14)20(23,24)25)28-31(29,30)19-10-27-17-7-11(4-5-12(17)19)16-3-1-2-6-26-16/h1-3,6,8-11,27-28H,4-5,7H2
InChIKeyJZOFOQDRKRGBHJ-UHFFFAOYSA-N
XLogP4.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide (CID 171649909) is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The canonical SMILES for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c2c1CCC(c1ccccn1)C2.
What is the InChIKey of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
The InChIKey is JZOFOQDRKRGBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O2S/c21-14-9-18(15(22)8-13(14)20(23,24)25)28-31(29,30)19-10-27-17-7-11(4-5-12(17)19)16-3-1-2-6-26-16/h1-3,6,8-11,27-28H,4-5,7H2.
What are the key properties of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide?
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide has a molecular weight of 457.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indole-3-sulfonamide is sourced from PubChem (CID 171649909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).