N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C16H17N3O2S — CID 142393211

IUPACN-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-4-12-6-8-13(9-7-12)19-22(20,21)15-11-18-16-14(15)5-3-10-17-16/h3,5-11,19H,2,4H2,1H3,(H,17,18)
InChIKeyDPSCEAJGHOLWPE-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.32
Rot. Bonds5

About N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 142393211) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID142393211
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-4-12-6-8-13(9-7-12)19-22(20,21)15-11-18-16-14(15)5-3-10-17-16/h3,5-11,19H,2,4H2,1H3,(H,17,18)
InChIKeyDPSCEAJGHOLWPE-UHFFFAOYSA-N
XLogP3.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 75435532
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)pentanoic acid
CID 104934882
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220

Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 142393211) is N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CCCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is DPSCEAJGHOLWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-4-12-6-8-13(9-7-12)19-22(20,21)15-11-18-16-14(15)5-3-10-17-16/h3,5-11,19H,2,4H2,1H3,(H,17,18).
What are the key properties of N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 142393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).