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

C16H14F3N3O2S — CID 172894596

IUPACN,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C16H14F3N3O2S/c1-22(2)25(23,24)12-5-3-4-10(6-12)11-7-13-14(16(17,18)19)9-21-15(13)20-8-11/h3-9H,1-2H3,(H,20,21)
InChIKeyNKGOIQXGDTZXAN-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.50
Rot. Bonds3

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

N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide (PubChem CID 172894596) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
PubChem CID172894596
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC NameN,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1
InChIInChI=1S/C16H14F3N3O2S/c1-22(2)25(23,24)12-5-3-4-10(6-12)11-7-13-14(16(17,18)19)9-21-15(13)20-8-11/h3-9H,1-2H3,(H,20,21)
InChIKeyNKGOIQXGDTZXAN-UHFFFAOYSA-N
XLogP3.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 172894702
N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
1-[6-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 146642044
2,4-difluoro-3-[[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
CID 58087397
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenesulfonamide
CID 146274727
3-[3-(dimethylsulfamoylamino)-2-fluorobenzoyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 90116764
5-benzylsulfanyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 138681664
2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59824903
2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 25167913
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide (CID 172894596) is N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
The InChIKey is NKGOIQXGDTZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-22(2)25(23,24)12-5-3-4-10(6-12)11-7-13-14(16(17,18)19)9-21-15(13)20-8-11/h3-9H,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide?
N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide has a molecular weight of 369.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 172894596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).