N-(4-aminopentyl)benzenesulfonamide

C11H18N2O2S — CID 106125730

IUPACN-(4-aminopentyl)benzenesulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-10(12)6-5-9-13-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,12H2,1H3
InChIKeyYRRFIYBPTFJWLA-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.09
Rot. Bonds6

About N-(4-aminopentyl)benzenesulfonamide

N-(4-aminopentyl)benzenesulfonamide (PubChem CID 106125730) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(4-aminopentyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)benzenesulfonamide
PubChem CID106125730
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(4-aminopentyl)benzenesulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-10(12)6-5-9-13-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,12H2,1H3
InChIKeyYRRFIYBPTFJWLA-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
CID 67598790
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
N-tridecylbenzenesulfonamide
CID 3514704
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)benzenesulfonamide?
The IUPAC name of N-(4-aminopentyl)benzenesulfonamide (CID 106125730) is N-(4-aminopentyl)benzenesulfonamide.
What is the SMILES notation for N-(4-aminopentyl)benzenesulfonamide?
The canonical SMILES for N-(4-aminopentyl)benzenesulfonamide is CC(N)CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-aminopentyl)benzenesulfonamide?
The InChIKey is YRRFIYBPTFJWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10(12)6-5-9-13-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,12H2,1H3.
What are the key properties of N-(4-aminopentyl)benzenesulfonamide?
N-(4-aminopentyl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)benzenesulfonamide is sourced from PubChem (CID 106125730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).