4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide

C21H21NO3S — CID 43904422

IUPAC4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO3S/c1-2-21(17-9-5-3-6-10-17)22-26(23,24)20-15-13-19(14-16-20)25-18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3
InChIKeySBVLFPWAKSCWPU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.91
Rot. Bonds7

About 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide

4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide (PubChem CID 43904422) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
PubChem CID43904422
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO3S/c1-2-21(17-9-5-3-6-10-17)22-26(23,24)20-15-13-19(14-16-20)25-18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3
InChIKeySBVLFPWAKSCWPU-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide
CID 93486755
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
CID 164862066
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide (CID 43904422) is 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide?
The InChIKey is SBVLFPWAKSCWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-2-21(17-9-5-3-6-10-17)22-26(23,24)20-15-13-19(14-16-20)25-18-11-7-4-8-12-18/h3-16,21-22H,2H2,1H3.
What are the key properties of 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide?
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 43904422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).