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

C18H13Cl3N2O3S — CID 1483027

IUPAC2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccccc2Cl)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O3S/c19-14-7-5-12(9-16(14)21)10-23-11-13(6-8-18(23)24)22-27(25,26)17-4-2-1-3-15(17)20/h1-9,11,22H,10H2
InChIKeyPQAPPBPANKMKHC-UHFFFAOYSA-N
MW443.74 g/mol
LogP4.66
Rot. Bonds5

About 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide

2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 1483027) has the molecular formula C18H13Cl3N2O3S and a molecular weight of 443.74 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID1483027
Molecular FormulaC18H13Cl3N2O3S
Molecular Weight443.74 g/mol
Exact Mass441.97
IUPAC Name2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESO=c1ccc(NS(=O)(=O)c2ccccc2Cl)cn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O3S/c19-14-7-5-12(9-16(14)21)10-23-11-13(6-8-18(23)24)22-27(25,26)17-4-2-1-3-15(17)20/h1-9,11,22H,10H2
InChIKeyPQAPPBPANKMKHC-UHFFFAOYSA-N
XLogP4.66
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide (CID 1483027) is 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide is O=c1ccc(NS(=O)(=O)c2ccccc2Cl)cn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is PQAPPBPANKMKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3S/c19-14-7-5-12(9-16(14)21)10-23-11-13(6-8-18(23)24)22-27(25,26)17-4-2-1-3-15(17)20/h1-9,11,22H,10H2.
What are the key properties of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide?
2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 443.74 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 1483027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).