N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide

C24H22ClN3O3S — CID 135248782

IUPACN-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1C
InChIInChI=1S/C24H22ClN3O3S/c1-3-11-32(30,31)28-22-6-4-5-19(15(22)2)23(29)21-14-27-24-20(21)12-17(13-26-24)16-7-9-18(25)10-8-16/h4-10,12-14,28H,3,11H2,1-2H3,(H,26,27)
InChIKeyDCRHVYMPVOZLCK-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.57
Rot. Bonds7

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

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide (PubChem CID 135248782) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide
PubChem CID135248782
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1C
InChIInChI=1S/C24H22ClN3O3S/c1-3-11-32(30,31)28-22-6-4-5-19(15(22)2)23(29)21-14-27-24-20(21)12-17(13-26-24)16-7-9-18(25)10-8-16/h4-10,12-14,28H,3,11H2,1-2H3,(H,26,27)
InChIKeyDCRHVYMPVOZLCK-UHFFFAOYSA-N
XLogP5.57
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide (CID 135248782) is N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1C.
What is the InChIKey of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide?
The InChIKey is DCRHVYMPVOZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-3-11-32(30,31)28-22-6-4-5-19(15(22)2)23(29)21-14-27-24-20(21)12-17(13-26-24)16-7-9-18(25)10-8-16/h4-10,12-14,28H,3,11H2,1-2H3,(H,26,27).
What are the key properties of N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide?
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide has a molecular weight of 467.98 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135248782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).