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

C14H12FN3O2S — CID 53173972

IUPACN-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1F
InChIInChI=1S/C14H12FN3O2S/c1-9-4-5-10(7-12(9)15)18-21(19,20)13-8-17-14-11(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17)
InChIKeyBWCMZWSHJUDGRK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.81
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53173972) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53173972
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1F
InChIInChI=1S/C14H12FN3O2S/c1-9-4-5-10(7-12(9)15)18-21(19,20)13-8-17-14-11(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17)
InChIKeyBWCMZWSHJUDGRK-UHFFFAOYSA-N
XLogP2.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 75435532
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
N-(3-fluoro-4-methylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propanamide
CID 55989533
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
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-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]acetamide
CID 55988617

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53173972) is N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is BWCMZWSHJUDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-9-4-5-10(7-12(9)15)18-21(19,20)13-8-17-14-11(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53173972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).