2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C11H15BrN2O3S — CID 107903643

IUPAC2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(Br)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-7(12)11(15)14-8(2)9-3-5-10(6-4-9)18(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyZWOQVCMDZLGIFU-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.29
Rot. Bonds4

About 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 107903643) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID107903643
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(Br)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-7(12)11(15)14-8(2)9-3-5-10(6-4-9)18(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyZWOQVCMDZLGIFU-UHFFFAOYSA-N
XLogP1.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 116675254
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-bromo-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 107903587
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 134037901
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 107903643) is 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(Br)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ZWOQVCMDZLGIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7(12)11(15)14-8(2)9-3-5-10(6-4-9)18(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 335.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 107903643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).