N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide

C16H16FN3O2S — CID 53174112

IUPACN-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccccc2F)c2cccnc21
InChIInChI=1S/C16H16FN3O2S/c1-2-10-20-11-15(12-6-5-9-18-16(12)20)23(21,22)19-14-8-4-3-7-13(14)17/h3-9,11,19H,2,10H2,1H3
InChIKeyXKQXJFNCVHKFHM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds5

About N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide

N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174112) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174112
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC NameN-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccccc2F)c2cccnc21
InChIInChI=1S/C16H16FN3O2S/c1-2-10-20-11-15(12-6-5-9-18-16(12)20)23(21,22)19-14-8-4-3-7-13(14)17/h3-9,11,19H,2,10H2,1H3
InChIKeyXKQXJFNCVHKFHM-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
2-(3-pentylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 68853215
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
CID 53174138
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 171350897
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174043

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174112) is N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccccc2F)c2cccnc21.
What is the InChIKey of N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is XKQXJFNCVHKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-2-10-20-11-15(12-6-5-9-18-16(12)20)23(21,22)19-14-8-4-3-7-13(14)17/h3-9,11,19H,2,10H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 333.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).