3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide

C13H19BrN2O4S — CID 61060914

IUPAC3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O4S/c1-3-7-15-13(17)6-8-16-21(18,19)12-9-10(14)4-5-11(12)20-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyGMGFKDLZDYGSNT-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.65
Rot. Bonds8

About 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide

3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 61060914) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID61060914
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O4S/c1-3-7-15-13(17)6-8-16-21(18,19)12-9-10(14)4-5-11(12)20-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyGMGFKDLZDYGSNT-UHFFFAOYSA-N
XLogP1.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
CID 17428914
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide (CID 61060914) is 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is GMGFKDLZDYGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-3-7-15-13(17)6-8-16-21(18,19)12-9-10(14)4-5-11(12)20-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 379.28 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 61060914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).