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N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide

C24H21FN6O3S — CID 146568881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide
SMILESO=c1c(CCc2ccc(F)cc2)c(CNS(=O)(=O)c2cccnc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21FN6O3S/c25-17-10-7-16(8-11-17)9-12-19-22(15-27-35(33,34)18-4-3-13-26-14-18)30-31(23(19)32)24-28-20-5-1-2-6-21(20)29-24/h1-8,10-11,13-14,27,30H,9,12,15H2,(H,28,29)
InChIKeyRTOBVYAAXKSDGH-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.84
Rot. Bonds8

About N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide

N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide (PubChem CID 146568881) has the molecular formula C24H21FN6O3S and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide
PubChem CID146568881
Molecular FormulaC24H21FN6O3S
Molecular Weight492.54 g/mol
Exact Mass492.14
IUPAC NameN-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide
SMILESO=c1c(CCc2ccc(F)cc2)c(CNS(=O)(=O)c2cccnc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21FN6O3S/c25-17-10-7-16(8-11-17)9-12-19-22(15-27-35(33,34)18-4-3-13-26-14-18)30-31(23(19)32)24-28-20-5-1-2-6-21(20)29-24/h1-8,10-11,13-14,27,30H,9,12,15H2,(H,28,29)
InChIKeyRTOBVYAAXKSDGH-UHFFFAOYSA-N
XLogP2.84
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide (CID 146568881) is N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide is O=c1c(CCc2ccc(F)cc2)c(CNS(=O)(=O)c2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is RTOBVYAAXKSDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3S/c25-17-10-7-16(8-11-17)9-12-19-22(15-27-35(33,34)18-4-3-13-26-14-18)30-31(23(19)32)24-28-20-5-1-2-6-21(20)29-24/h1-8,10-11,13-14,27,30H,9,12,15H2,(H,28,29).
What are the key properties of N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide?
N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 492.54 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 146568881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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