4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide

C23H19ClFN5O3S — CID 112844279

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H19ClFN5O3S/c1-15-26-10-11-30(15)22-9-2-16(13-27-22)14-28-23(31)17-3-8-20(24)21(12-17)29-34(32,33)19-6-4-18(25)5-7-19/h2-13,29H,14H2,1H3,(H,28,31)
InChIKeyRHYDRGFEGPYWSM-UHFFFAOYSA-N
MW499.96 g/mol
LogP4.10
Rot. Bonds7

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 112844279) has the molecular formula C23H19ClFN5O3S and a molecular weight of 499.96 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID112844279
Molecular FormulaC23H19ClFN5O3S
Molecular Weight499.96 g/mol
Exact Mass499.09
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H19ClFN5O3S/c1-15-26-10-11-30(15)22-9-2-16(13-27-22)14-28-23(31)17-3-8-20(24)21(12-17)29-34(32,33)19-6-4-18(25)5-7-19/h2-13,29H,14H2,1H3,(H,28,31)
InChIKeyRHYDRGFEGPYWSM-UHFFFAOYSA-N
XLogP4.10
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 87023016
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55585721
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 112844279) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is RHYDRGFEGPYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O3S/c1-15-26-10-11-30(15)22-9-2-16(13-27-22)14-28-23(31)17-3-8-20(24)21(12-17)29-34(32,33)19-6-4-18(25)5-7-19/h2-13,29H,14H2,1H3,(H,28,31).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 499.96 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 112844279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).