2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide

C17H17Br2ClN2O3S — CID 50740270

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C)cc(Br)cc1Br
InChIInChI=1S/C17H17Br2ClN2O3S/c1-3-15(22-26(24,25)13-6-4-12(20)5-7-13)17(23)21-16-10(2)8-11(18)9-14(16)19/h4-9,15,22H,3H2,1-2H3,(H,21,23)
InChIKeyGVKYONGLJGAYJG-UHFFFAOYSA-N
MW524.66 g/mol
LogP4.87
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide

2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide (PubChem CID 50740270) has the molecular formula C17H17Br2ClN2O3S and a molecular weight of 524.66 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide
PubChem CID50740270
Molecular FormulaC17H17Br2ClN2O3S
Molecular Weight524.66 g/mol
Exact Mass521.90
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C)cc(Br)cc1Br
InChIInChI=1S/C17H17Br2ClN2O3S/c1-3-15(22-26(24,25)13-6-4-12(20)5-7-13)17(23)21-16-10(2)8-11(18)9-14(16)19/h4-9,15,22H,3H2,1-2H3,(H,21,23)
InChIKeyGVKYONGLJGAYJG-UHFFFAOYSA-N
XLogP4.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.66
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)propanamide
CID 50740258
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 3877256
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]butanoyl]amino]phenyl]acetate
CID 67706856
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide (CID 50740270) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide is CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C)cc(Br)cc1Br.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide?
The InChIKey is GVKYONGLJGAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2ClN2O3S/c1-3-15(22-26(24,25)13-6-4-12(20)5-7-13)17(23)21-16-10(2)8-11(18)9-14(16)19/h4-9,15,22H,3H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide has a molecular weight of 524.66 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide is sourced from PubChem (CID 50740270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).