4-(3-aminopropyl)-N-butylbenzenesulfonamide

C13H22N2O2S — CID 28807103

IUPAC4-(3-aminopropyl)-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C13H22N2O2S/c1-2-3-11-15-18(16,17)13-8-6-12(7-9-13)5-4-10-14/h6-9,15H,2-5,10-11,14H2,1H3
InChIKeyYVXGPYFXRHNJAS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.66
Rot. Bonds8

About 4-(3-aminopropyl)-N-butylbenzenesulfonamide

4-(3-aminopropyl)-N-butylbenzenesulfonamide (PubChem CID 28807103) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-butylbenzenesulfonamide
PubChem CID28807103
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(3-aminopropyl)-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C13H22N2O2S/c1-2-3-11-15-18(16,17)13-8-6-12(7-9-13)5-4-10-14/h6-9,15H,2-5,10-11,14H2,1H3
InChIKeyYVXGPYFXRHNJAS-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.66
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-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
4-butylbenzenesulfonohydrazide
CID 17255521
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-butylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-butylbenzenesulfonamide (CID 28807103) is 4-(3-aminopropyl)-N-butylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-butylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-butylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-butylbenzenesulfonamide?
The InChIKey is YVXGPYFXRHNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-3-11-15-18(16,17)13-8-6-12(7-9-13)5-4-10-14/h6-9,15H,2-5,10-11,14H2,1H3.
What are the key properties of 4-(3-aminopropyl)-N-butylbenzenesulfonamide?
4-(3-aminopropyl)-N-butylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-butylbenzenesulfonamide is sourced from PubChem (CID 28807103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).