N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

C23H18Cl2F2N4O3S — CID 58095347

IUPACN-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(Cl)c(Cl)c4)[nH]c3c2)c1F
InChIInChI=1S/C23H18Cl2F2N4O3S/c1-2-7-35(33,34)31-17-6-5-16(26)20(21(17)27)19(32)9-12-8-18-23(28-11-12)30-22(29-18)13-3-4-14(24)15(25)10-13/h3-6,8,10-11,31H,2,7,9H2,1H3,(H,28,29,30)
InChIKeyIDSLGXCECPFTKW-UHFFFAOYSA-N
MW539.39 g/mol
LogP5.79
Rot. Bonds8

About N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 58095347) has the molecular formula C23H18Cl2F2N4O3S and a molecular weight of 539.39 g/mol. Its IUPAC name is N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID58095347
Molecular FormulaC23H18Cl2F2N4O3S
Molecular Weight539.39 g/mol
Exact Mass538.04
IUPAC NameN-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(Cl)c(Cl)c4)[nH]c3c2)c1F
InChIInChI=1S/C23H18Cl2F2N4O3S/c1-2-7-35(33,34)31-17-6-5-16(26)20(21(17)27)19(32)9-12-8-18-23(28-11-12)30-22(29-18)13-3-4-14(24)15(25)10-13/h3-6,8,10-11,31H,2,7,9H2,1H3,(H,28,29,30)
InChIKeyIDSLGXCECPFTKW-UHFFFAOYSA-N
XLogP5.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.39
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 58095347) is N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(Cl)c(Cl)c4)[nH]c3c2)c1F.
What is the InChIKey of N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is IDSLGXCECPFTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F2N4O3S/c1-2-7-35(33,34)31-17-6-5-16(26)20(21(17)27)19(32)9-12-8-18-23(28-11-12)30-22(29-18)13-3-4-14(24)15(25)10-13/h3-6,8,10-11,31H,2,7,9H2,1H3,(H,28,29,30).
What are the key properties of N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 539.39 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).