N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide

C10H15N5O2S3 — CID 19609016

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(S(=O)(=O)NCCSSCCN)cc1
InChIInChI=1S/C10H15N5O2S3/c11-5-7-18-19-8-6-13-20(16,17)10-3-1-9(2-4-10)14-15-12/h1-4,13H,5-8,11H2
InChIKeyVKSXDUMTNAOCFC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.25
Rot. Bonds9

About N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide

N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide (PubChem CID 19609016) has the molecular formula C10H15N5O2S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide
PubChem CID19609016
Molecular FormulaC10H15N5O2S3
Molecular Weight333.46 g/mol
Exact Mass333.04
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(S(=O)(=O)NCCSSCCN)cc1
InChIInChI=1S/C10H15N5O2S3/c11-5-7-18-19-8-6-13-20(16,17)10-3-1-9(2-4-10)14-15-12/h1-4,13H,5-8,11H2
InChIKeyVKSXDUMTNAOCFC-UHFFFAOYSA-N
XLogP2.25
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-azido-N-hexylbenzenesulfonamide
CID 169325897
4-azidobenzenesulfonamide
CID 3558590
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
4-azido-N-(4-methylphenyl)benzenesulfonamide
CID 150364782
4-(2-aminoethoxy)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066211
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
N-[2-(2-aminoethylsulfanylsulfonyl)ethyl]-4-azido-2-nitroaniline
CID 118467419
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
CID 71392994
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide (CID 19609016) is N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide is [N-]=[N+]=Nc1ccc(S(=O)(=O)NCCSSCCN)cc1.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide?
The InChIKey is VKSXDUMTNAOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S3/c11-5-7-18-19-8-6-13-20(16,17)10-3-1-9(2-4-10)14-15-12/h1-4,13H,5-8,11H2.
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide is sourced from PubChem (CID 19609016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).