2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide

C13H19BrN2O3S — CID 107903298

IUPAC2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-4-16(5-2)20(18,19)12-8-6-11(7-9-12)15-13(17)10(3)14/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeyAMNHGNPLZQGNMS-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.44
Rot. Bonds6

About 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide

2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 107903298) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID107903298
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-4-16(5-2)20(18,19)12-8-6-11(7-9-12)15-13(17)10(3)14/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeyAMNHGNPLZQGNMS-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 1007969
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 2975660
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 107903298) is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is AMNHGNPLZQGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-4-16(5-2)20(18,19)12-8-6-11(7-9-12)15-13(17)10(3)14/h6-10H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide?
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 363.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 107903298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).