1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide

C17H15F2N3O3S — CID 172701145

IUPAC1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCC(c1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1F)S(N)(=O)=O
InChIInChI=1S/C17H15F2N3O3S/c1-2-13(26(20,24)25)10-5-6-12(18)14(15(10)19)16(23)11-8-22-17-9(11)4-3-7-21-17/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyCZEAYFOATMRXHA-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.81
Rot. Bonds5

About 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide

1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 172701145) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID172701145
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCC(c1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1F)S(N)(=O)=O
InChIInChI=1S/C17H15F2N3O3S/c1-2-13(26(20,24)25)10-5-6-12(18)14(15(10)19)16(23)11-8-22-17-9(11)4-3-7-21-17/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyCZEAYFOATMRXHA-UHFFFAOYSA-N
XLogP2.81
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 172827954
1-[2,4-difluoro-3-[5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 172763862
1-[4-carbamoyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonic acid
CID 87088988
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086202
N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(methylidene-λ3-iodanyl)benzenesulfonamide
CID 143711925
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
1-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 172727152
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468
1-[2,4-difluoro-3-[hydroxy-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]propane-1-sulfonamide
CID 172821653
3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
CID 68669544

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide (CID 172701145) is 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide is CCC(c1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1F)S(N)(=O)=O.
What is the InChIKey of 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is CZEAYFOATMRXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-2-13(26(20,24)25)10-5-6-12(18)14(15(10)19)16(23)11-8-22-17-9(11)4-3-7-21-17/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide?
1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 379.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 172701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).