N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide

C18H16F3NO4S — CID 126851041

IUPACN-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1cc2ccccc2o1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H16F3NO4S/c19-18(20,21)26-16-9-3-4-10-17(16)27(23,24)22-11-5-7-14-12-13-6-1-2-8-15(13)25-14/h1-4,6,8-10,12,22H,5,7,11H2
InChIKeyONRMIANDPWQSSF-UHFFFAOYSA-N
MW399.39 g/mol
LogP4.24
Rot. Bonds7

About N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 126851041) has the molecular formula C18H16F3NO4S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID126851041
Molecular FormulaC18H16F3NO4S
Molecular Weight399.39 g/mol
Exact Mass399.08
IUPAC NameN-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1cc2ccccc2o1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H16F3NO4S/c19-18(20,21)26-16-9-3-4-10-17(16)27(23,24)22-11-5-7-14-12-13-6-1-2-8-15(13)25-14/h1-4,6,8-10,12,22H,5,7,11H2
InChIKeyONRMIANDPWQSSF-UHFFFAOYSA-N
XLogP4.24
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-benzofuran-2-yl)propyl]-2-(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-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
CID 3848428
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 3236646
N-(3-(benzofuran-2-yl)-3-hydroxypropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71804281
3-dibenzofuran-4-yl-N-[2-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 145953276
(2R,3R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162644155
(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide
CID 162645435
(2R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-4-methylpentanamide
CID 162657780
(2S,3S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162664858
N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 90143349
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
CID 164635694
2-[(7-Fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
CID 15158757

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 126851041) is N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCCc1cc2ccccc2o1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ONRMIANDPWQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4S/c19-18(20,21)26-16-9-3-4-10-17(16)27(23,24)22-11-5-7-14-12-13-6-1-2-8-15(13)25-14/h1-4,6,8-10,12,22H,5,7,11H2.
What are the key properties of N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 399.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 126851041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).