N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide

C16H18Cl2N2O4S2 — CID 2190292

IUPACN-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O4S2/c1-2-3-10-19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-11-12(17)4-9-15(16)18/h4-9,11,19-20H,2-3,10H2,1H3
InChIKeyNVZFEQORGMNQOD-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.87
Rot. Bonds8

About N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide

N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 2190292) has the molecular formula C16H18Cl2N2O4S2 and a molecular weight of 437.37 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
PubChem CID2190292
Molecular FormulaC16H18Cl2N2O4S2
Molecular Weight437.37 g/mol
Exact Mass436.01
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O4S2/c1-2-3-10-19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-11-12(17)4-9-15(16)18/h4-9,11,19-20H,2-3,10H2,1H3
InChIKeyNVZFEQORGMNQOD-UHFFFAOYSA-N
XLogP3.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide (CID 2190292) is N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is NVZFEQORGMNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4S2/c1-2-3-10-19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-11-12(17)4-9-15(16)18/h4-9,11,19-20H,2-3,10H2,1H3.
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 437.37 g/mol, XLogP of 3.87, 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]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 2190292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).