N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide

C19H14Cl2N2O3S — CID 140704127

IUPACN-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(Cl)c1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c20-16-10-9-14(12-15(16)17-8-4-5-11-22-17)18(21)27(25,26)23-19(24)13-6-2-1-3-7-13/h1-12,18H,(H,23,24)
InChIKeyRMWPGXLPDLKCSC-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.40
Rot. Bonds5

About N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide

N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide (PubChem CID 140704127) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide
PubChem CID140704127
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(Cl)c1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c20-16-10-9-14(12-15(16)17-8-4-5-11-22-17)18(21)27(25,26)23-19(24)13-6-2-1-3-7-13/h1-12,18H,(H,23,24)
InChIKeyRMWPGXLPDLKCSC-UHFFFAOYSA-N
XLogP4.40
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide?
The IUPAC name of N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide (CID 140704127) is N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide.
What is the SMILES notation for N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide?
The canonical SMILES for N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide is O=C(NS(=O)(=O)C(Cl)c1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1.
What is the InChIKey of N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide?
The InChIKey is RMWPGXLPDLKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c20-16-10-9-14(12-15(16)17-8-4-5-11-22-17)18(21)27(25,26)23-19(24)13-6-2-1-3-7-13/h1-12,18H,(H,23,24).
What are the key properties of N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide?
N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide has a molecular weight of 421.31 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(4-chloro-3-pyridin-2-ylphenyl)methyl]sulfonylbenzamide is sourced from PubChem (CID 140704127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).