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

C19H16Cl2N2O3S — CID 1483026

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3S/c1-13-2-6-16(7-3-13)27(25,26)22-15-5-9-19(24)23(12-15)11-14-4-8-17(20)18(21)10-14/h2-10,12,22H,11H2,1H3
InChIKeyQDFYVVNIMWRVJO-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.31
Rot. Bonds5

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

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 1483026) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID1483026
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3S/c1-13-2-6-16(7-3-13)27(25,26)22-15-5-9-19(24)23(12-15)11-14-4-8-17(20)18(21)10-14/h2-10,12,22H,11H2,1H3
InChIKeyQDFYVVNIMWRVJO-UHFFFAOYSA-N
XLogP4.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.31
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide (CID 1483026) is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is QDFYVVNIMWRVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-13-2-6-16(7-3-13)27(25,26)22-15-5-9-19(24)23(12-15)11-14-4-8-17(20)18(21)10-14/h2-10,12,22H,11H2,1H3.
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 423.32 g/mol, XLogP of 4.31, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).