N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide

C16H16F3NO3S — CID 31687969

IUPACN-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)23-14-9-4-10-15(12-14)24(21,22)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,20H,5,8,11H2
InChIKeyYNQYZBQKTFNKFT-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.50
Rot. Bonds7

About N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide

N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31687969) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID31687969
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)23-14-9-4-10-15(12-14)24(21,22)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,20H,5,8,11H2
InChIKeyYNQYZBQKTFNKFT-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide 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-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 78845500
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 71259465
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 31687969) is N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCCc1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YNQYZBQKTFNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c17-16(18,19)23-14-9-4-10-15(12-14)24(21,22)20-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,20H,5,8,11H2.
What are the key properties of N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31687969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).