1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C14H14ClFN2O3S — CID 24527575

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c1-17(2)22(20,21)12-5-6-14(19)18(9-12)8-10-3-4-11(16)7-13(10)15/h3-7,9H,8H2,1-2H3
InChIKeyPNWWZABFRHRKQQ-UHFFFAOYSA-N
MW344.80 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 24527575) has the molecular formula C14H14ClFN2O3S and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID24527575
Molecular FormulaC14H14ClFN2O3S
Molecular Weight344.80 g/mol
Exact Mass344.04
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c1-17(2)22(20,21)12-5-6-14(19)18(9-12)8-10-3-4-11(16)7-13(10)15/h3-7,9H,8H2,1-2H3
InChIKeyPNWWZABFRHRKQQ-UHFFFAOYSA-N
XLogP1.94
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828925
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 17425375
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828891
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
3-[(2-chloro-4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 26054753
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
2-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7829051
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 47096592
N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
CID 25475278
1-[(2-chloro-4-fluorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 22204940
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878
4-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide
CID 20964929

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 24527575) is 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is PNWWZABFRHRKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3S/c1-17(2)22(20,21)12-5-6-14(19)18(9-12)8-10-3-4-11(16)7-13(10)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 344.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 24527575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).