N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide

C15H13BrCl2N2O3S — CID 24663432

IUPACN-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13BrCl2N2O3S/c16-11-8-12(17)14(13(18)9-11)24(22,23)20-7-6-19-15(21)10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H,19,21)
InChIKeyVHXZORZORZDBCH-UHFFFAOYSA-N
MW452.16 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide

N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide (PubChem CID 24663432) has the molecular formula C15H13BrCl2N2O3S and a molecular weight of 452.16 g/mol. Its IUPAC name is N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
PubChem CID24663432
Molecular FormulaC15H13BrCl2N2O3S
Molecular Weight452.16 g/mol
Exact Mass449.92
IUPAC NameN-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13BrCl2N2O3S/c16-11-8-12(17)14(13(18)9-11)24(22,23)20-7-6-19-15(21)10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H,19,21)
InChIKeyVHXZORZORZDBCH-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.16
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide (CID 24663432) is N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide is O=C(NCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is VHXZORZORZDBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3S/c16-11-8-12(17)14(13(18)9-11)24(22,23)20-7-6-19-15(21)10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H,19,21).
What are the key properties of N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide?
N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 452.16 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 24663432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).