N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide

C23H23NO4S — CID 175146708

IUPACN-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
SMILESO=C(CCOc1ccccc1)CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23NO4S/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/h1-13,18,24H,14-17H2
InChIKeyRUGZJOCZMDQBFA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.46
Rot. Bonds10

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

N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide (PubChem CID 175146708) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
PubChem CID175146708
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
SMILESO=C(CCOc1ccccc1)CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23NO4S/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/h1-13,18,24H,14-17H2
InChIKeyRUGZJOCZMDQBFA-UHFFFAOYSA-N
XLogP4.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395
N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
CID 175359249
N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
CID 175149398
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide (CID 175146708) is N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide is O=C(CCOc1ccccc1)CCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide?
The InChIKey is RUGZJOCZMDQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/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/h1-13,18,24H,14-17H2.
What are the key properties of N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide?
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175146708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).