N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide

C14H8F5N3O2S — CID 154653196

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8F5N3O2S/c15-9-3-8-11(4-10(9)16)20-6-12(8)22-25(23,24)13-2-1-7(5-21-13)14(17,18)19/h1-6,20,22H
InChIKeyUUBMRMAMGVTSHI-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.66
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide

N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 154653196) has the molecular formula C14H8F5N3O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID154653196
Molecular FormulaC14H8F5N3O2S
Molecular Weight377.29 g/mol
Exact Mass377.03
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8F5N3O2S/c15-9-3-8-11(4-10(9)16)20-6-12(8)22-25(23,24)13-2-1-7(5-21-13)14(17,18)19/h1-6,20,22H
InChIKeyUUBMRMAMGVTSHI-UHFFFAOYSA-N
XLogP3.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
CID 155009388
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945
[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 155005390
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 143347423
5,6-difluoro-N-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-indol-3-amine
CID 154653148
N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 166295575
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 154653196) is N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide is O=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is UUBMRMAMGVTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2S/c15-9-3-8-11(4-10(9)16)20-6-12(8)22-25(23,24)13-2-1-7(5-21-13)14(17,18)19/h1-6,20,22H.
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 377.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 154653196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).