N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide

C21H30N2O3S — CID 152721242

IUPACN-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
SMILESNCCCCCCCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H30N2O3S/c22-16-8-3-1-2-4-9-17-23-27(24,25)21-14-12-20(13-15-21)26-18-19-10-6-5-7-11-19/h5-7,10-15,23H,1-4,8-9,16-18,22H2
InChIKeyZVRFGFGFKDVXIT-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.84
Rot. Bonds13

About N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide

N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide (PubChem CID 152721242) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
PubChem CID152721242
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
SMILESNCCCCCCCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H30N2O3S/c22-16-8-3-1-2-4-9-17-23-27(24,25)21-14-12-20(13-15-21)26-18-19-10-6-5-7-11-19/h5-7,10-15,23H,1-4,8-9,16-18,22H2
InChIKeyZVRFGFGFKDVXIT-UHFFFAOYSA-N
XLogP3.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 118524153
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide?
The IUPAC name of N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide (CID 152721242) is N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide?
The canonical SMILES for N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide is NCCCCCCCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide?
The InChIKey is ZVRFGFGFKDVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c22-16-8-3-1-2-4-9-17-23-27(24,25)21-14-12-20(13-15-21)26-18-19-10-6-5-7-11-19/h5-7,10-15,23H,1-4,8-9,16-18,22H2.
What are the key properties of N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide?
N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide has a molecular weight of 390.55 g/mol, XLogP of 3.84, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 152721242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).