N-(5-aminopentyl)-4-phenoxybenzenesulfonamide

C17H22N2O3S — CID 58080264

IUPACN-(5-aminopentyl)-4-phenoxybenzenesulfonamide
SMILESNCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c18-13-5-2-6-14-19-23(20,21)17-11-9-16(10-12-17)22-15-7-3-1-4-8-15/h1,3-4,7-12,19H,2,5-6,13-14,18H2
InChIKeyVKJTZDKMEFFPDE-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.89
Rot. Bonds9

About N-(5-aminopentyl)-4-phenoxybenzenesulfonamide

N-(5-aminopentyl)-4-phenoxybenzenesulfonamide (PubChem CID 58080264) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-phenoxybenzenesulfonamide
PubChem CID58080264
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(5-aminopentyl)-4-phenoxybenzenesulfonamide
SMILESNCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c18-13-5-2-6-14-19-23(20,21)17-11-9-16(10-12-17)22-15-7-3-1-4-8-15/h1,3-4,7-12,19H,2,5-6,13-14,18H2
InChIKeyVKJTZDKMEFFPDE-UHFFFAOYSA-N
XLogP2.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.89
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-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
CID 152721242
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
CID 171726310
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 20604027

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(5-aminopentyl)-4-phenoxybenzenesulfonamide (CID 58080264) is N-(5-aminopentyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(5-aminopentyl)-4-phenoxybenzenesulfonamide is NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(5-aminopentyl)-4-phenoxybenzenesulfonamide?
The InChIKey is VKJTZDKMEFFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c18-13-5-2-6-14-19-23(20,21)17-11-9-16(10-12-17)22-15-7-3-1-4-8-15/h1,3-4,7-12,19H,2,5-6,13-14,18H2.
What are the key properties of N-(5-aminopentyl)-4-phenoxybenzenesulfonamide?
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 58080264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).