N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide

C15H14ClFN2O4S — CID 71882588

IUPACN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C15H14ClFN2O4S/c1-23-13-4-2-10(6-12(13)17)7-15(20)19-24(21,22)9-11-3-5-14(16)18-8-11/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyAMGMWFKEUJTJNY-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.07
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide

N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 71882588) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID71882588
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C15H14ClFN2O4S/c1-23-13-4-2-10(6-12(13)17)7-15(20)19-24(21,22)9-11-3-5-14(16)18-8-11/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyAMGMWFKEUJTJNY-UHFFFAOYSA-N
XLogP2.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 71882588) is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is AMGMWFKEUJTJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c1-23-13-4-2-10(6-12(13)17)7-15(20)19-24(21,22)9-11-3-5-14(16)18-8-11/h2-6,8H,7,9H2,1H3,(H,19,20).
What are the key properties of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 71882588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).