N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

C17H12F3NO2S — CID 3814100

IUPACN-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C17H12F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)21-24(22,23)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,21H
InChIKeyAFTLNJMAWIFDJQ-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.66
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (PubChem CID 3814100) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
PubChem CID3814100
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC NameN-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C17H12F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)21-24(22,23)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,21H
InChIKeyAFTLNJMAWIFDJQ-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(trifluoromethyl)phenyl]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

2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
N-phenylnaphthalene-1-sulfonamide
CID 3816137
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
CID 39824401
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 106057279
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
2,5-bis(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3863989

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (CID 3814100) is N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is AFTLNJMAWIFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)21-24(22,23)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,21H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 351.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3814100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).