2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide

C14H10ClFN2O3S — CID 68976803

IUPAC2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClFN2O3S/c15-13-9-10(16)4-5-12(13)14(19)18-22(20,21)8-6-11-3-1-2-7-17-11/h1-9H,(H,18,19)
InChIKeyCPYLDGTWVYECED-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide

2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide (PubChem CID 68976803) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
PubChem CID68976803
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC Name2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10ClFN2O3S/c15-13-9-10(16)4-5-12(13)14(19)18-22(20,21)8-6-11-3-1-2-7-17-11/h1-9H,(H,18,19)
InChIKeyCPYLDGTWVYECED-UHFFFAOYSA-N
XLogP2.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide (CID 68976803) is 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide is O=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The InChIKey is CPYLDGTWVYECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c15-13-9-10(16)4-5-12(13)14(19)18-22(20,21)8-6-11-3-1-2-7-17-11/h1-9H,(H,18,19).
What are the key properties of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide has a molecular weight of 340.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68976803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).