N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide

C23H25NO4S — CID 175359249

IUPACN-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CC[C@H](O)CCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H25NO4S/c25-21(16-17-28-22-10-3-1-4-11-22)15-14-19-8-7-9-20(18-19)24-29(26,27)23-12-5-2-6-13-23/h1-13,18,21,24-25H,14-17H2/t21-/m0/s1
InChIKeyVRFJJCYWRKJVKM-NRFANRHFSA-N
MW411.52 g/mol
LogP4.25
Rot. Bonds10

About N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide

N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide (PubChem CID 175359249) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
PubChem CID175359249
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CC[C@H](O)CCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H25NO4S/c25-21(16-17-28-22-10-3-1-4-11-22)15-14-19-8-7-9-20(18-19)24-29(26,27)23-12-5-2-6-13-23/h1-13,18,21,24-25H,14-17H2/t21-/m0/s1
InChIKeyVRFJJCYWRKJVKM-NRFANRHFSA-N
XLogP4.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
CID 175149398
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
3-[2-[(3S)-5-[3-(cyclopentylsulfonylamino)phenyl]-3-hydroxypentoxy]phenyl]propanoic acid
CID 146319060
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
1,5-diphenoxypentan-3-ol
CID 5314309
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
CID 175145699
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide (CID 175359249) is N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CC[C@H](O)CCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide?
The InChIKey is VRFJJCYWRKJVKM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25NO4S/c25-21(16-17-28-22-10-3-1-4-11-22)15-14-19-8-7-9-20(18-19)24-29(26,27)23-12-5-2-6-13-23/h1-13,18,21,24-25H,14-17H2/t21-/m0/s1.
What are the key properties of N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide?
N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175359249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).