N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide

C14H16BrNO3S — CID 114795672

IUPACN-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
SMILESCOCC(Br)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16BrNO3S/c1-19-10-12(15)9-16-20(17,18)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3
InChIKeyMWHKQMWQOMELLZ-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.53
Rot. Bonds6

About N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide

N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide (PubChem CID 114795672) has the molecular formula C14H16BrNO3S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
PubChem CID114795672
Molecular FormulaC14H16BrNO3S
Molecular Weight358.26 g/mol
Exact Mass357.00
IUPAC NameN-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
SMILESCOCC(Br)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16BrNO3S/c1-19-10-12(15)9-16-20(17,18)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3
InChIKeyMWHKQMWQOMELLZ-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.53
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

N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795627
N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
CID 106185259
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
2-bromo-N-(3-bromo-4-methoxybutyl)benzenesulfonamide
CID 106245635
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide (CID 114795672) is N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide is COCC(Br)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide?
The InChIKey is MWHKQMWQOMELLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S/c1-19-10-12(15)9-16-20(17,18)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide?
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide has a molecular weight of 358.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).