N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide

C11H12N6O2S2 — CID 86070138

IUPACN-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H12N6O2S2/c12-16-13-6-1-7-14-21(18,19)10-4-2-9(3-5-10)11-8-20-17-15-11/h2-5,8,14H,1,6-7H2
InChIKeyOYPHODOKIHLLCG-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.18
Rot. Bonds7

About N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide

N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide (PubChem CID 86070138) has the molecular formula C11H12N6O2S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
PubChem CID86070138
Molecular FormulaC11H12N6O2S2
Molecular Weight324.39 g/mol
Exact Mass324.05
IUPAC NameN-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H12N6O2S2/c12-16-13-6-1-7-14-21(18,19)10-4-2-9(3-5-10)11-8-20-17-15-11/h2-5,8,14H,1,6-7H2
InChIKeyOYPHODOKIHLLCG-UHFFFAOYSA-N
XLogP2.18
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 3834955
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073
N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328410
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-azidobutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106387054
N-(3-azidopropyl)-2-cyanobenzenesulfonamide
CID 61344901
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide (CID 86070138) is N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide is [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide?
The InChIKey is OYPHODOKIHLLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S2/c12-16-13-6-1-7-14-21(18,19)10-4-2-9(3-5-10)11-8-20-17-15-11/h2-5,8,14H,1,6-7H2.
What are the key properties of N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide?
N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide has a molecular weight of 324.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 86070138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).