3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H14BrClN2O3S — CID 106545570

IUPAC3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeySETPJFXUHCMOCU-UHFFFAOYSA-N
MW369.67 g/mol
LogP1.86
Rot. Bonds5

About 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 106545570) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID106545570
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeySETPJFXUHCMOCU-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
ethyl 4-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoate
CID 106545378
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546806
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 106545570) is 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is SETPJFXUHCMOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-15(2)11(16)5-6-14-19(17,18)8-3-4-10(13)9(12)7-8/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 369.67 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 106545570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).