4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

C20H17ClFN3O4S — CID 37083906

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)ccn1
InChIInChI=1S/C20H17ClFN3O4S/c1-29-19-10-13(8-9-23-19)12-24-20(26)14-2-7-17(21)18(11-14)25-30(27,28)16-5-3-15(22)4-6-16/h2-11,25H,12H2,1H3,(H,24,26)
InChIKeyKDUNKUYCFWAIOB-UHFFFAOYSA-N
MW449.89 g/mol
LogP3.61
Rot. Bonds7

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 37083906) has the molecular formula C20H17ClFN3O4S and a molecular weight of 449.89 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID37083906
Molecular FormulaC20H17ClFN3O4S
Molecular Weight449.89 g/mol
Exact Mass449.06
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)ccn1
InChIInChI=1S/C20H17ClFN3O4S/c1-29-19-10-13(8-9-23-19)12-24-20(26)14-2-7-17(21)18(11-14)25-30(27,28)16-5-3-15(22)4-6-16/h2-11,25H,12H2,1H3,(H,24,26)
InChIKeyKDUNKUYCFWAIOB-UHFFFAOYSA-N
XLogP3.61
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 55523190
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 112844279
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-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547198
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55585721
N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 24536134
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 37083906) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)ccn1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is KDUNKUYCFWAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O4S/c1-29-19-10-13(8-9-23-19)12-24-20(26)14-2-7-17(21)18(11-14)25-30(27,28)16-5-3-15(22)4-6-16/h2-11,25H,12H2,1H3,(H,24,26).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 449.89 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37083906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).