4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide

C20H13ClFN3O3S — CID 66646772

IUPAC4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1F)c1c[nH]c2ncccc12
InChIInChI=1S/C20H13ClFN3O3S/c21-12-3-6-14(7-4-12)29(27,28)25-13-5-8-18(22)16(10-13)19(26)17-11-24-20-15(17)2-1-9-23-20/h1-11,25H,(H,23,24)
InChIKeyBWVMCFQWDVUFDM-UHFFFAOYSA-N
MW429.86 g/mol
LogP4.39
Rot. Bonds5

About 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide

4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide (PubChem CID 66646772) has the molecular formula C20H13ClFN3O3S and a molecular weight of 429.86 g/mol. Its IUPAC name is 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide
PubChem CID66646772
Molecular FormulaC20H13ClFN3O3S
Molecular Weight429.86 g/mol
Exact Mass429.04
IUPAC Name4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1F)c1c[nH]c2ncccc12
InChIInChI=1S/C20H13ClFN3O3S/c21-12-3-6-14(7-4-12)29(27,28)25-13-5-8-18(22)16(10-13)19(26)17-11-24-20-15(17)2-1-9-23-20/h1-11,25H,(H,23,24)
InChIKeyBWVMCFQWDVUFDM-UHFFFAOYSA-N
XLogP4.39
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66647008
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(methylidene-λ3-iodanyl)benzenesulfonamide
CID 143711925
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
CID 39331681
(2-bromo-4-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339392
N-[4-fluoro-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66646486
N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162838
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide (CID 66646772) is 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide is O=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1F)c1c[nH]c2ncccc12.
What is the InChIKey of 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is BWVMCFQWDVUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3S/c21-12-3-6-14(7-4-12)29(27,28)25-13-5-8-18(22)16(10-13)19(26)17-11-24-20-15(17)2-1-9-23-20/h1-11,25H,(H,23,24).
What are the key properties of 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide?
4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 429.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66646772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).