N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide

C24H27NO4S — CID 175149398

IUPACN-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CC[C@H](O)CCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H27NO4S/c26-22(11-8-18-29-23-12-3-1-4-13-23)17-16-20-9-7-10-21(19-20)25-30(27,28)24-14-5-2-6-15-24/h1-7,9-10,12-15,19,22,25-26H,8,11,16-18H2/t22-/m1/s1
InChIKeyKXFURHRARBHDNE-JOCHJYFZSA-N
MW425.55 g/mol
LogP4.64
Rot. Bonds11

About N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide

N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide (PubChem CID 175149398) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
PubChem CID175149398
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC NameN-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CC[C@H](O)CCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H27NO4S/c26-22(11-8-18-29-23-12-3-1-4-13-23)17-16-20-9-7-10-21(19-20)25-30(27,28)24-14-5-2-6-15-24/h1-7,9-10,12-15,19,22,25-26H,8,11,16-18H2/t22-/m1/s1
InChIKeyKXFURHRARBHDNE-JOCHJYFZSA-N
XLogP4.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]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-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
CID 175359249
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
CID 175145699
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide (CID 175149398) is N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CC[C@H](O)CCCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide?
The InChIKey is KXFURHRARBHDNE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27NO4S/c26-22(11-8-18-29-23-12-3-1-4-13-23)17-16-20-9-7-10-21(19-20)25-30(27,28)24-14-5-2-6-15-24/h1-7,9-10,12-15,19,22,25-26H,8,11,16-18H2/t22-/m1/s1.
What are the key properties of N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide?
N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 4.64, 11 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-6-phenoxyhexyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175149398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).