N-(4-azidobutyl)-4-propylbenzenesulfonamide

C13H20N4O2S — CID 114182224

IUPACN-(4-azidobutyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCCN=[N+]=[N-])cc1
InChIInChI=1S/C13H20N4O2S/c1-2-5-12-6-8-13(9-7-12)20(18,19)16-11-4-3-10-15-17-14/h6-9,16H,2-5,10-11H2,1H3
InChIKeyYSOHJPPUHMXZGT-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.01
Rot. Bonds9

About N-(4-azidobutyl)-4-propylbenzenesulfonamide

N-(4-azidobutyl)-4-propylbenzenesulfonamide (PubChem CID 114182224) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-propylbenzenesulfonamide
PubChem CID114182224
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(4-azidobutyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCCN=[N+]=[N-])cc1
InChIInChI=1S/C13H20N4O2S/c1-2-5-12-6-8-13(9-7-12)20(18,19)16-11-4-3-10-15-17-14/h6-9,16H,2-5,10-11H2,1H3
InChIKeyYSOHJPPUHMXZGT-UHFFFAOYSA-N
XLogP3.01
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(4-azidobutyl)-4-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-azido-N-hexylbenzenesulfonamide
CID 169325897
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(4-azidobutyl)-4-propylbenzenesulfonamide (CID 114182224) is N-(4-azidobutyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-azidobutyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(4-azidobutyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCCCN=[N+]=[N-])cc1.
What is the InChIKey of N-(4-azidobutyl)-4-propylbenzenesulfonamide?
The InChIKey is YSOHJPPUHMXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-5-12-6-8-13(9-7-12)20(18,19)16-11-4-3-10-15-17-14/h6-9,16H,2-5,10-11H2,1H3.
What are the key properties of N-(4-azidobutyl)-4-propylbenzenesulfonamide?
N-(4-azidobutyl)-4-propylbenzenesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 114182224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).