2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

C13H19BrN2O4S — CID 103113314

IUPAC2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-5-16(3)13(17)9(2)15-21(18,19)10-6-7-12(20-4)11(14)8-10/h6-9,15H,5H2,1-4H3
InChIKeyJGBJLGJMBYHNPC-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.60
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103113314) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
PubChem CID103113314
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-5-16(3)13(17)9(2)15-21(18,19)10-6-7-12(20-4)11(14)8-10/h6-9,15H,5H2,1-4H3
InChIKeyJGBJLGJMBYHNPC-UHFFFAOYSA-N
XLogP1.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
2-[(4-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110433
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110430
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
2-[(2-chloropyrimidin-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108336
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (CID 103113314) is 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is JGBJLGJMBYHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-5-16(3)13(17)9(2)15-21(18,19)10-6-7-12(20-4)11(14)8-10/h6-9,15H,5H2,1-4H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 379.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).