N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide

C14H16BrNO3S — CID 106185259

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

About N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide

N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide (PubChem CID 106185259) has the molecular formula C14H16BrNO3S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
PubChem CID106185259
Molecular FormulaC14H16BrNO3S
Molecular Weight358.26 g/mol
Exact Mass357.00
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
SMILESCOCC(CBr)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16BrNO3S/c1-19-10-12(9-15)16-20(17,18)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3
InChIKeyFSUNDQVHVSTTNU-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-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795627
N-(1-bromobutan-2-yl)isoquinoline-5-sulfonamide
CID 113271950
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
2,5-dibromo-N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185015
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 106185346
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide (CID 106185259) is N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide is COCC(CBr)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is FSUNDQVHVSTTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S/c1-19-10-12(9-15)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-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide?
N-(1-bromo-3-methoxypropan-2-yl)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-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 106185259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).