2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide

C15H12ClFN2O4S — CID 68977562

IUPAC2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide
SMILESCOc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H12ClFN2O4S/c1-23-14-5-2-10(9-18-14)6-7-24(21,22)19-15(20)12-4-3-11(17)8-13(12)16/h2-9H,1H3,(H,19,20)
InChIKeyPCRWKSSRHXXMNP-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide

2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide (PubChem CID 68977562) has the molecular formula C15H12ClFN2O4S and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide
PubChem CID68977562
Molecular FormulaC15H12ClFN2O4S
Molecular Weight370.79 g/mol
Exact Mass370.02
IUPAC Name2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide
SMILESCOc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H12ClFN2O4S/c1-23-14-5-2-10(9-18-14)6-7-24(21,22)19-15(20)12-4-3-11(17)8-13(12)16/h2-9H,1H3,(H,19,20)
InChIKeyPCRWKSSRHXXMNP-UHFFFAOYSA-N
XLogP2.61
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide (CID 68977562) is 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide is COc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide?
The InChIKey is PCRWKSSRHXXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4S/c1-23-14-5-2-10(9-18-14)6-7-24(21,22)19-15(20)12-4-3-11(17)8-13(12)16/h2-9H,1H3,(H,19,20).
What are the key properties of 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide?
2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide has a molecular weight of 370.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(6-methoxy-3-pyridinyl)ethenylsulfonyl]benzamide is sourced from PubChem (CID 68977562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).