N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

C15H12F3N3O3S — CID 158913042

IUPACN-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(OC(F)(F)F)c1)C1=NCc2ncccc21
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-11-4-1-3-10(7-11)8-21-25(22,23)14-12-5-2-6-19-13(12)9-20-14/h1-7,21H,8-9H2
InChIKeyJGWSAOINVIPPNP-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.36
Rot. Bonds4

About N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (PubChem CID 158913042) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
PubChem CID158913042
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC NameN-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(OC(F)(F)F)c1)C1=NCc2ncccc21
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-11-4-1-3-10(7-11)8-21-25(22,23)14-12-5-2-6-19-13(12)9-20-14/h1-7,21H,8-9H2
InChIKeyJGWSAOINVIPPNP-UHFFFAOYSA-N
XLogP2.36
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 35390128
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55663598
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 162256037
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
N-[[3-[(1R)-1-cyanopropoxy]phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862059

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (CID 158913042) is N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is O=S(=O)(NCc1cccc(OC(F)(F)F)c1)C1=NCc2ncccc21.
What is the InChIKey of N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The InChIKey is JGWSAOINVIPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)24-11-4-1-3-10(7-11)8-21-25(22,23)14-12-5-2-6-19-13(12)9-20-14/h1-7,21H,8-9H2.
What are the key properties of N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide has a molecular weight of 371.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 158913042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).