2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide

C11H15BrN2O4S — CID 102685066

IUPAC2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-13-19(16,17)6-5-14-11(15)9-7-8(18-2)3-4-10(9)12/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyNMZVNLBHALFTCH-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.74
Rot. Bonds6

About 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide

2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide (PubChem CID 102685066) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
PubChem CID102685066
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-13-19(16,17)6-5-14-11(15)9-7-8(18-2)3-4-10(9)12/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyNMZVNLBHALFTCH-UHFFFAOYSA-N
XLogP0.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-N-[2-(methylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336080
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide (CID 102685066) is 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide is CNS(=O)(=O)CCNC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide?
The InChIKey is NMZVNLBHALFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-13-19(16,17)6-5-14-11(15)9-7-8(18-2)3-4-10(9)12/h3-4,7,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide?
2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide has a molecular weight of 351.22 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 102685066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).