1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide

C19H20F3N3O2S — CID 53174219

IUPAC1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C19H20F3N3O2S/c1-2-3-10-25-13-17(16-8-5-9-23-18(16)25)28(26,27)24-12-14-6-4-7-15(11-14)19(20,21)22/h4-9,11,13,24H,2-3,10,12H2,1H3
InChIKeyWEEUFVMZYVMXPF-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.33
Rot. Bonds7

About 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide

1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174219) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174219
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C19H20F3N3O2S/c1-2-3-10-25-13-17(16-8-5-9-23-18(16)25)28(26,27)24-12-14-6-4-7-15(11-14)19(20,21)22/h4-9,11,13,24H,2-3,10,12H2,1H3
InChIKeyWEEUFVMZYVMXPF-UHFFFAOYSA-N
XLogP4.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174225
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
2-(3-pentylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 68853215
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174219) is 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is CCCCn1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c2cccnc21.
What is the InChIKey of 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is WEEUFVMZYVMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-2-3-10-25-13-17(16-8-5-9-23-18(16)25)28(26,27)24-12-14-6-4-7-15(11-14)19(20,21)22/h4-9,11,13,24H,2-3,10,12H2,1H3.
What are the key properties of 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 411.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).