N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide

C15H18BrNO2S — CID 114795680

IUPACN-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18BrNO2S/c1-15(2,10-16)11-17-20(18,19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,10-11H2,1-2H3
InChIKeyXUUVMEWIRGCHIA-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.54
Rot. Bonds5

About N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide

N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide (PubChem CID 114795680) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
PubChem CID114795680
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18BrNO2S/c1-15(2,10-16)11-17-20(18,19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,10-11H2,1-2H3
InChIKeyXUUVMEWIRGCHIA-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.54
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

N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365229
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
N-(3-bromo-2,2-dimethylpropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 113295109
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide (CID 114795680) is N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide is CC(C)(CBr)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide?
The InChIKey is XUUVMEWIRGCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-15(2,10-16)11-17-20(18,19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide?
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide has a molecular weight of 356.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).