3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

C12H17BrN2O3S — CID 71982237

IUPAC3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1c(Br)cccc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O3S/c1-9-10(13)5-4-6-11(9)19(17,18)14-8-7-12(16)15(2)3/h4-6,14H,7-8H2,1-3H3
InChIKeyICJJHXZKVFDTJH-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.51
Rot. Bonds5

About 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 71982237) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID71982237
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1c(Br)cccc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O3S/c1-9-10(13)5-4-6-11(9)19(17,18)14-8-7-12(16)15(2)3/h4-6,14H,7-8H2,1-3H3
InChIKeyICJJHXZKVFDTJH-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654
3-bromo-N,N,2-trimethylbenzenesulfonamide
CID 162727630
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
CID 100829067
3-bromo-2-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720177
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 71982237) is 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)N(C)C.
What is the InChIKey of 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is ICJJHXZKVFDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9-10(13)5-4-6-11(9)19(17,18)14-8-7-12(16)15(2)3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 349.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 71982237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).