N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C19H26N2O4S2 — CID 2186738

IUPACN-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-11-20-26(22,23)18-9-7-17(8-10-18)21-27(24,25)19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3
InChIKeyYVHBJAIANROJBF-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.49
Rot. Bonds8

About N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2186738) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID2186738
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-11-20-26(22,23)18-9-7-17(8-10-18)21-27(24,25)19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3
InChIKeyYVHBJAIANROJBF-UHFFFAOYSA-N
XLogP3.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.49
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 N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 2186738) is N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is YVHBJAIANROJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-5-6-11-20-26(22,23)18-9-7-17(8-10-18)21-27(24,25)19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3.
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2186738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).