2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H14BrClN2O3S — CID 47203596

IUPAC2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H14BrClN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyUZDOIPQBXGXZHU-UHFFFAOYSA-N
MW369.67 g/mol
LogP1.86
Rot. Bonds4

About 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 47203596) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID47203596
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H14BrClN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyUZDOIPQBXGXZHU-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 80708114
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 47203596) is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is UZDOIPQBXGXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 369.67 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 47203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).