4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide

C19H16Cl2N2O3S — CID 58108466

IUPAC4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccn1
InChIInChI=1S/C19H16Cl2N2O3S/c1-26-19-10-13(8-9-22-19)12-23-27(24,25)16-5-2-14(3-6-16)17-7-4-15(20)11-18(17)21/h2-11,23H,12H2,1H3
InChIKeyGVUJOTIJAISUBZ-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.54
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide

4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 58108466) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID58108466
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC Name4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccn1
InChIInChI=1S/C19H16Cl2N2O3S/c1-26-19-10-13(8-9-22-19)12-23-27(24,25)16-5-2-14(3-6-16)17-7-4-15(20)11-18(17)21/h2-11,23H,12H2,1H3
InChIKeyGVUJOTIJAISUBZ-UHFFFAOYSA-N
XLogP4.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide
CID 58108465
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062049
3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 62989660

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide (CID 58108466) is 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccn1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is GVUJOTIJAISUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-26-19-10-13(8-9-22-19)12-23-27(24,25)16-5-2-14(3-6-16)17-7-4-15(20)11-18(17)21/h2-11,23H,12H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide?
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 423.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 58108466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).