N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

C24H19ClF2N2O3S — CID 58065927

IUPACN-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)C2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C24H19ClF2N2O3S/c1-2-11-33(31,32)29-21-10-8-19(26)22(23(21)27)24(30)17-7-9-20-18(17)12-15(13-28-20)14-3-5-16(25)6-4-14/h3-8,10,12-13,29H,2,9,11H2,1H3
InChIKeySQMLHDLLRGEQHX-UHFFFAOYSA-N
MW488.94 g/mol
LogP5.65
Rot. Bonds7

About N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 58065927) has the molecular formula C24H19ClF2N2O3S and a molecular weight of 488.94 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID58065927
Molecular FormulaC24H19ClF2N2O3S
Molecular Weight488.94 g/mol
Exact Mass488.08
IUPAC NameN-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)C2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C24H19ClF2N2O3S/c1-2-11-33(31,32)29-21-10-8-19(26)22(23(21)27)24(30)17-7-9-20-18(17)12-15(13-28-20)14-3-5-16(25)6-4-14/h3-8,10,12-13,29H,2,9,11H2,1H3
InChIKeySQMLHDLLRGEQHX-UHFFFAOYSA-N
XLogP5.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.94
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 58065927) is N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)C2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is SQMLHDLLRGEQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N2O3S/c1-2-11-33(31,32)29-21-10-8-19(26)22(23(21)27)24(30)17-7-9-20-18(17)12-15(13-28-20)14-3-5-16(25)6-4-14/h3-8,10,12-13,29H,2,9,11H2,1H3.
What are the key properties of N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 488.94 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58065927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).