N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide

C14H16BrNO2S — CID 114795686

IUPACN-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
SMILESCC(CCBr)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16BrNO2S/c1-11(9-10-15)16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3
InChIKeyALCZTYYTBNJHLE-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.29
Rot. Bonds5

About N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide

N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide (PubChem CID 114795686) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
PubChem CID114795686
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC NameN-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
SMILESCC(CCBr)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16BrNO2S/c1-11(9-10-15)16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3
InChIKeyALCZTYYTBNJHLE-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
CID 106185259
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide (CID 114795686) is N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide is CC(CCBr)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is ALCZTYYTBNJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-11(9-10-15)16-19(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide?
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 342.26 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).