N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide

C18H14Cl2N2O3S — CID 1483022

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccccc2)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O3S/c19-16-8-6-13(10-17(16)20)11-22-12-14(7-9-18(22)23)21-26(24,25)15-4-2-1-3-5-15/h1-10,12,21H,11H2
InChIKeyRIZHEPFCVROKLB-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.00
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 1483022) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID1483022
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccccc2)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O3S/c19-16-8-6-13(10-17(16)20)11-22-12-14(7-9-18(22)23)21-26(24,25)15-4-2-1-3-5-15/h1-10,12,21H,11H2
InChIKeyRIZHEPFCVROKLB-UHFFFAOYSA-N
XLogP4.00
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide (CID 1483022) is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide is O=c1ccc(NS(=O)(=O)c2ccccc2)cn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is RIZHEPFCVROKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c19-16-8-6-13(10-17(16)20)11-22-12-14(7-9-18(22)23)21-26(24,25)15-4-2-1-3-5-15/h1-10,12,21H,11H2.
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 409.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 1483022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).