5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide

C21H13Cl2F2N3O3S — CID 135357113

IUPAC5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2cc(-c3ccc(Cl)cc3F)c3cccnc32)cc1F
InChIInChI=1S/C21H13Cl2F2N3O3S/c1-32(30,31)27-21(29)14-8-16(23)19(9-18(14)25)28-10-15(13-3-2-6-26-20(13)28)12-5-4-11(22)7-17(12)24/h2-10H,1H3,(H,27,29)
InChIKeyWYYFWZQFJLYSQA-UHFFFAOYSA-N
MW496.32 g/mol
LogP4.97
Rot. Bonds4

About 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide

5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 135357113) has the molecular formula C21H13Cl2F2N3O3S and a molecular weight of 496.32 g/mol. Its IUPAC name is 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID135357113
Molecular FormulaC21H13Cl2F2N3O3S
Molecular Weight496.32 g/mol
Exact Mass495.00
IUPAC Name5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2cc(-c3ccc(Cl)cc3F)c3cccnc32)cc1F
InChIInChI=1S/C21H13Cl2F2N3O3S/c1-32(30,31)27-21(29)14-8-16(23)19(9-18(14)25)28-10-15(13-3-2-6-26-20(13)28)12-5-4-11(22)7-17(12)24/h2-10H,1H3,(H,27,29)
InChIKeyWYYFWZQFJLYSQA-UHFFFAOYSA-N
XLogP4.97
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N-methylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 135357087
5-chloro-4-[5-chloro-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357061
5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458705
5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357057
5-chloro-4-[5-chloro-3-(4-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 160591998
5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 122458685
5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135356866
5-chloro-2-fluoro-4-(5-fluoro-3-pyridin-3-ylindazol-1-yl)-N-methylsulfonylbenzamide
CID 135356885
5-chloro-4-[5-chloro-3-[4-(trifluoromethyl)phenyl]indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135356895
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458711
4-[5-chloro-6-(2,4,6-trichlorophenoxy)-3-pyridinyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 122422604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 135357113) is 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(-n2cc(-c3ccc(Cl)cc3F)c3cccnc32)cc1F.
What is the InChIKey of 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is WYYFWZQFJLYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O3S/c1-32(30,31)27-21(29)14-8-16(23)19(9-18(14)25)28-10-15(13-3-2-6-26-20(13)28)12-5-4-11(22)7-17(12)24/h2-10H,1H3,(H,27,29).
What are the key properties of 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 496.32 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 135357113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).