3-bromo-N-phenylpropane-1-sulfonamide

C9H12BrNO2S — CID 118418114

IUPAC3-bromo-N-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCBr)Nc1ccccc1
InChIInChI=1S/C9H12BrNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyAAGFJQLOMDMVHV-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.21
Rot. Bonds5

About 3-bromo-N-phenylpropane-1-sulfonamide

3-bromo-N-phenylpropane-1-sulfonamide (PubChem CID 118418114) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 3-bromo-N-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-phenylpropane-1-sulfonamide
PubChem CID118418114
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name3-bromo-N-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCBr)Nc1ccccc1
InChIInChI=1S/C9H12BrNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyAAGFJQLOMDMVHV-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
CID 175405925
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride
CID 67782321
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
N-[3-(3-bromopropyl)phenyl]-3-methylbutane-1-sulfonamide
CID 113397929
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenylpropane-1-sulfonamide?
The IUPAC name of 3-bromo-N-phenylpropane-1-sulfonamide (CID 118418114) is 3-bromo-N-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-bromo-N-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-bromo-N-phenylpropane-1-sulfonamide is O=S(=O)(CCCBr)Nc1ccccc1.
What is the InChIKey of 3-bromo-N-phenylpropane-1-sulfonamide?
The InChIKey is AAGFJQLOMDMVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c10-7-4-8-14(12,13)11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2.
What are the key properties of 3-bromo-N-phenylpropane-1-sulfonamide?
3-bromo-N-phenylpropane-1-sulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenylpropane-1-sulfonamide is sourced from PubChem (CID 118418114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).