N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide

C15H12F3N3O2S — CID 172894702

IUPACN-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C15H12F3N3O2S/c1-19-24(22,23)11-4-2-3-9(5-11)10-6-12-13(15(16,17)18)8-21-14(12)20-7-10/h2-8,19H,1H3,(H,20,21)
InChIKeyJEJGXANLYGDQAQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.16
Rot. Bonds3

About N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide

N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide (PubChem CID 172894702) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
PubChem CID172894702
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC NameN-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C15H12F3N3O2S/c1-19-24(22,23)11-4-2-3-9(5-11)10-6-12-13(15(16,17)18)8-21-14(12)20-7-10/h2-8,19H,1H3,(H,20,21)
InChIKeyJEJGXANLYGDQAQ-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 172894596
2,4-difluoro-3-[[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
CID 58087397
5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;2,2,2-trifluoro-N-methylethanamine
CID 142811564
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
5-benzylsulfanyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 138681664
N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
CID 162248609
N-propan-2-yl-3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68875904
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
N-[4-fluoro-3-[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66647008
[3-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl] 2,2,2-trifluoroacetate
CID 68936884
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide (CID 172894702) is N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1.
What is the InChIKey of N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The InChIKey is JEJGXANLYGDQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-19-24(22,23)11-4-2-3-9(5-11)10-6-12-13(15(16,17)18)8-21-14(12)20-7-10/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide has a molecular weight of 355.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 172894702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).