N-[2-(2-chlorophenoxy)ethyl]naphthalene-2-sulfonamide
PubChem CID
581642
Structure
Molecular Formula
Synonyms
- N-[2-(2-chlorophenoxy)ethyl]naphthalene-2-sulfonamide
- CBMicro_007135
- WDECIVCAKFWHKG-UHFFFAOYSA-N
- SMSF0012171
- STK121341
Molecular Weight
361.8 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
N-[2-(2-chlorophenoxy)ethyl]naphthalene-2-sulfonamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C18H16ClNO3S/c19-17-7-3-4-8-18(17)23-12-11-20-24(21,22)16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,20H,11-12H2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
WDECIVCAKFWHKG-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCOC3=CC=CC=C3Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H16ClNO3S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
361.8 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
4.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
361.0539422 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
361.0539422 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
63.8 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
493
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawNaphthalene-2-sulfonic acid [2-(2-chloro-phenoxy)-ethyl]-amidehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseNaphthalene-2-sulfonic acid [2-(2-chloro-phenoxy)-ethyl]-amidehttps://spectrabase.com/spectrum/3sECg8atnc2-naphthalenesulfonamide, N-[2-(2-chlorophenoxy)ethyl]-https://spectrabase.com/spectrum/DleOmUtjK6D
- PubChem
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