N-(3-azidopropyl)-4-chlorobenzenesulfonamide

C9H11ClN4O2S — CID 61342719

IUPACN-(3-azidopropyl)-4-chlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4O2S/c10-8-2-4-9(5-3-8)17(15,16)13-7-1-6-12-14-11/h2-5,13H,1,6-7H2
InChIKeyAYWVDEBKWZWUCH-UHFFFAOYSA-N
MW274.73 g/mol
LogP2.32
Rot. Bonds6

About N-(3-azidopropyl)-4-chlorobenzenesulfonamide

N-(3-azidopropyl)-4-chlorobenzenesulfonamide (PubChem CID 61342719) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-chlorobenzenesulfonamide
PubChem CID61342719
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC NameN-(3-azidopropyl)-4-chlorobenzenesulfonamide
SMILES[N-]=[N+]=NCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4O2S/c10-8-2-4-9(5-3-8)17(15,16)13-7-1-6-12-14-11/h2-5,13H,1,6-7H2
InChIKeyAYWVDEBKWZWUCH-UHFFFAOYSA-N
XLogP2.32
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 52.32
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)-3,5-dichlorobenzenesulfonamide
CID 61343464
6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
CID 71392994
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
CID 86070138
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
N-(3-azidopropyl)-2-chloro-4-nitrobenzenesulfonamide
CID 61345066
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-4-chlorobenzenesulfonamide (CID 61342719) is N-(3-azidopropyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-4-chlorobenzenesulfonamide is [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-azidopropyl)-4-chlorobenzenesulfonamide?
The InChIKey is AYWVDEBKWZWUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c10-8-2-4-9(5-3-8)17(15,16)13-7-1-6-12-14-11/h2-5,13H,1,6-7H2.
What are the key properties of N-(3-azidopropyl)-4-chlorobenzenesulfonamide?
N-(3-azidopropyl)-4-chlorobenzenesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 61342719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).