N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide

C23H23F2NO3S — CID 175149395

IUPACN-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCC(F)(F)CCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H23F2NO3S/c24-23(25,16-17-29-21-10-3-1-4-11-21)15-14-19-8-7-9-20(18-19)26-30(27,28)22-12-5-2-6-13-22/h1-13,18,26H,14-17H2
InChIKeyBEUUWJMXBCZYJR-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.52
Rot. Bonds10

About N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide

N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide (PubChem CID 175149395) has the molecular formula C23H23F2NO3S and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
PubChem CID175149395
Molecular FormulaC23H23F2NO3S
Molecular Weight431.50 g/mol
Exact Mass431.14
IUPAC NameN-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCC(F)(F)CCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H23F2NO3S/c24-23(25,16-17-29-21-10-3-1-4-11-21)15-14-19-8-7-9-20(18-19)26-30(27,28)22-12-5-2-6-13-22/h1-13,18,26H,14-17H2
InChIKeyBEUUWJMXBCZYJR-UHFFFAOYSA-N
XLogP5.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]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-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
CID 175359249
N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
CID 175149398
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-[3-(2-phenylethoxy)phenyl]naphthalene-1-sulfonamide
CID 10294593
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide (CID 175149395) is N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCC(F)(F)CCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide?
The InChIKey is BEUUWJMXBCZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO3S/c24-23(25,16-17-29-21-10-3-1-4-11-21)15-14-19-8-7-9-20(18-19)26-30(27,28)22-12-5-2-6-13-22/h1-13,18,26H,14-17H2.
What are the key properties of N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide?
N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide has a molecular weight of 431.50 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175149395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).