2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide

C14H10Cl2N2O3S — CID 68979051

IUPAC2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-10-4-5-12(13(16)9-10)14(19)18-22(20,21)8-6-11-3-1-2-7-17-11/h1-9H,(H,18,19)
InChIKeyYCRMZEAQLPVOKS-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.12
Rot. Bonds4

About 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide

2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide (PubChem CID 68979051) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
PubChem CID68979051
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC Name2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-10-4-5-12(13(16)9-10)14(19)18-22(20,21)8-6-11-3-1-2-7-17-11/h1-9H,(H,18,19)
InChIKeyYCRMZEAQLPVOKS-UHFFFAOYSA-N
XLogP3.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide (CID 68979051) is 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide is O=C(NS(=O)(=O)C=Cc1ccccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
The InChIKey is YCRMZEAQLPVOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-10-4-5-12(13(16)9-10)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 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide?
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide has a molecular weight of 357.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68979051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).