5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine

C23H19ClF2N4O3S — CID 102531937

IUPAC5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1
InChIInChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28)
InChIKeyLLAFAUCUKNMECC-UHFFFAOYSA-N
MW504.95 g/mol
LogP5.00
Rot. Bonds7

About 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine

5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 102531937) has the molecular formula C23H19ClF2N4O3S and a molecular weight of 504.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID102531937
Molecular FormulaC23H19ClF2N4O3S
Molecular Weight504.95 g/mol
Exact Mass504.08
IUPAC Name5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1
InChIInChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28)
InChIKeyLLAFAUCUKNMECC-UHFFFAOYSA-N
XLogP5.00
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.95
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine (CID 102531937) is 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine is CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LLAFAUCUKNMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28).
What are the key properties of 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine?
5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 504.95 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 102531937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).