N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide

C24H19F2N7O2S — CID 86281836

IUPACN-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)nn1
InChIInChI=1S/C24H19F2N7O2S/c1-32-12-21(29-31-32)14-2-7-22-20(8-14)27-13-33(22)24-10-15(18-6-3-16(25)11-19(18)26)9-23(28-24)30-36(34,35)17-4-5-17/h2-3,6-13,17H,4-5H2,1H3,(H,28,30)
InChIKeyOYORFGAKPDTWCJ-UHFFFAOYSA-N
MW507.53 g/mol
LogP4.07
Rot. Bonds6

About N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide

N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 86281836) has the molecular formula C24H19F2N7O2S and a molecular weight of 507.53 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID86281836
Molecular FormulaC24H19F2N7O2S
Molecular Weight507.53 g/mol
Exact Mass507.13
IUPAC NameN-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)nn1
InChIInChI=1S/C24H19F2N7O2S/c1-32-12-21(29-31-32)14-2-7-22-20(8-14)27-13-33(22)24-10-15(18-6-3-16(25)11-19(18)26)9-23(28-24)30-36(34,35)17-4-5-17/h2-3,6-13,17H,4-5H2,1H3,(H,28,30)
InChIKeyOYORFGAKPDTWCJ-UHFFFAOYSA-N
XLogP4.07
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (CID 86281836) is N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is Cn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)nn1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is OYORFGAKPDTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2S/c1-32-12-21(29-31-32)14-2-7-22-20(8-14)27-13-33(22)24-10-15(18-6-3-16(25)11-19(18)26)9-23(28-24)30-36(34,35)17-4-5-17/h2-3,6-13,17H,4-5H2,1H3,(H,28,30).
What are the key properties of N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 507.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-6-[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 86281836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).