6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

C14H14ClFN2O3S — CID 39794843

IUPAC6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C14H14ClFN2O3S/c1-18(9-10-3-5-13(21-2)12(16)7-10)22(19,20)11-4-6-14(15)17-8-11/h3-8H,9H2,1-2H3
InChIKeyADIAAPJUCADHGB-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.70
Rot. Bonds5

About 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 39794843) has the molecular formula C14H14ClFN2O3S and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID39794843
Molecular FormulaC14H14ClFN2O3S
Molecular Weight344.80 g/mol
Exact Mass344.04
IUPAC Name6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C14H14ClFN2O3S/c1-18(9-10-3-5-13(21-2)12(16)7-10)22(19,20)11-4-6-14(15)17-8-11/h3-8H,9H2,1-2H3
InChIKeyADIAAPJUCADHGB-UHFFFAOYSA-N
XLogP2.70
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 39794843) is 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1F.
What is the InChIKey of 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is ADIAAPJUCADHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3S/c1-18(9-10-3-5-13(21-2)12(16)7-10)22(19,20)11-4-6-14(15)17-8-11/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 344.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 39794843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).