N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide

C13H12F3NO2S — CID 115684216

IUPACN-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H12F3NO2S/c14-13(15,16)8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2
InChIKeyZYGDOANXKZLCHP-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.07
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide

N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide (PubChem CID 115684216) has the molecular formula C13H12F3NO2S and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
PubChem CID115684216
Molecular FormulaC13H12F3NO2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC NameN-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H12F3NO2S/c14-13(15,16)8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2
InChIKeyZYGDOANXKZLCHP-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-benzylnaphthalene-1-sulfonamide
CID 3844256

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide (CID 115684216) is N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide is O=S(=O)(NCCC(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide?
The InChIKey is ZYGDOANXKZLCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S/c14-13(15,16)8-9-17-20(18,19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,17H,8-9H2.
What are the key properties of N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide?
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide has a molecular weight of 303.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).