5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine

C20H28ClN3O3S — CID 130244535

IUPAC5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine
SMILESCCCCOc1c(C)nc(NS(=O)(=O)NCCc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C20H28ClN3O3S/c1-5-6-13-27-19-14(2)15(3)20(23-16(19)4)24-28(25,26)22-12-11-17-7-9-18(21)10-8-17/h7-10,22H,5-6,11-13H2,1-4H3,(H,23,24)
InChIKeyVCXQBHCTQUQLSA-UHFFFAOYSA-N
MW425.98 g/mol
LogP4.33
Rot. Bonds10

About 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine

5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine (PubChem CID 130244535) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine
PubChem CID130244535
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC Name5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine
SMILESCCCCOc1c(C)nc(NS(=O)(=O)NCCc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C20H28ClN3O3S/c1-5-6-13-27-19-14(2)15(3)20(23-16(19)4)24-28(25,26)22-12-11-17-7-9-18(21)10-8-17/h7-10,22H,5-6,11-13H2,1-4H3,(H,23,24)
InChIKeyVCXQBHCTQUQLSA-UHFFFAOYSA-N
XLogP4.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine?
The IUPAC name of 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine (CID 130244535) is 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine?
The canonical SMILES for 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine is CCCCOc1c(C)nc(NS(=O)(=O)NCCc2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine?
The InChIKey is VCXQBHCTQUQLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3S/c1-5-6-13-27-19-14(2)15(3)20(23-16(19)4)24-28(25,26)22-12-11-17-7-9-18(21)10-8-17/h7-10,22H,5-6,11-13H2,1-4H3,(H,23,24).
What are the key properties of 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine?
5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine has a molecular weight of 425.98 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 130244535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).