N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H10F3N3O3S — CID 53173997

IUPACN-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1c[nH]c2ncccc12
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-11-6-2-1-5-10(11)20-24(21,22)12-8-19-13-9(12)4-3-7-18-13/h1-8,20H,(H,18,19)
InChIKeySLCFQSFAMSBUJG-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53173997) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53173997
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC NameN-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1c[nH]c2ncccc12
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-11-6-2-1-5-10(11)20-24(21,22)12-8-19-13-9(12)4-3-7-18-13/h1-8,20H,(H,18,19)
InChIKeySLCFQSFAMSBUJG-UHFFFAOYSA-N
XLogP3.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53173997) is N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(Nc1ccccc1OC(F)(F)F)c1c[nH]c2ncccc12.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is SLCFQSFAMSBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-11-6-2-1-5-10(11)20-24(21,22)12-8-19-13-9(12)4-3-7-18-13/h1-8,20H,(H,18,19).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 357.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53173997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).