N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide

C9H10Cl2N4O2S — CID 61343464

IUPACN-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N4O2S/c10-7-4-8(11)6-9(5-7)18(16,17)14-3-1-2-13-15-12/h4-6,14H,1-3H2
InChIKeySWQAAOGMKOIJPJ-UHFFFAOYSA-N
MW309.18 g/mol
LogP2.97
Rot. Bonds6

About N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide

N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 61343464) has the molecular formula C9H10Cl2N4O2S and a molecular weight of 309.18 g/mol. Its IUPAC name is N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
PubChem CID61343464
Molecular FormulaC9H10Cl2N4O2S
Molecular Weight309.18 g/mol
Exact Mass307.99
IUPAC NameN-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N4O2S/c10-7-4-8(11)6-9(5-7)18(16,17)14-3-1-2-13-15-12/h4-6,14H,1-3H2
InChIKeySWQAAOGMKOIJPJ-UHFFFAOYSA-N
XLogP2.97
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 52.97
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'}

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Related Compounds

N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328410
N-(3-azidopropyl)-2-chloro-4-nitrobenzenesulfonamide
CID 61345066
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
CID 86070138

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide (CID 61343464) is N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide is [N-]=[N+]=NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is SWQAAOGMKOIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O2S/c10-7-4-8(11)6-9(5-7)18(16,17)14-3-1-2-13-15-12/h4-6,14H,1-3H2.
What are the key properties of N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide?
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 309.18 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 61343464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).