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

C14H16ClNO3S — CID 114795627

IUPACN-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16ClNO3S/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
InChIKeyOAKHXRGSJHEHBQ-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.37
Rot. Bonds6

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

N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide (PubChem CID 114795627) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
PubChem CID114795627
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC NameN-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16ClNO3S/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
InChIKeyOAKHXRGSJHEHBQ-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.37
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-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
N-(3-chloro-4-methoxybutyl)isoquinoline-5-sulfonamide
CID 106245479
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
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
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-chloro-3-methoxypropyl)-2-propylsulfonylaniline
CID 65027838
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide (CID 114795627) is N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide is COCC(Cl)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide?
The InChIKey is OAKHXRGSJHEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S/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-chloro-3-methoxypropyl)naphthalene-1-sulfonamide?
N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).