N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide

C12H10F3NO3S — CID 82715252

IUPACN-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,16H,8H2
InChIKeyJIOXBZBAJSQFLX-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.61
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide

N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide (PubChem CID 82715252) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
PubChem CID82715252
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC NameN-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,16H,8H2
InChIKeyJIOXBZBAJSQFLX-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 106605708
4-fluoro-3-nitro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714353
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
(E)-3-[4-(2,2,2-trifluoroethoxysulfamoyl)phenyl]prop-2-enoic acid
CID 82712506
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-2-sulfonamide
CID 167877527
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide (CID 82715252) is N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide is O=S(=O)(NOCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide?
The InChIKey is JIOXBZBAJSQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,16H,8H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide?
N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide is sourced from PubChem (CID 82715252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).