6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide

C12H15ClN4O3S — CID 71392994

IUPAC6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O3S/c13-10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(18)16-17-14/h5-8,15H,1-4,9H2
InChIKeySNEMMJQEKDOSTE-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.02
Rot. Bonds8

About 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide

6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide (PubChem CID 71392994) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
PubChem CID71392994
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC Name6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O3S/c13-10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(18)16-17-14/h5-8,15H,1-4,9H2
InChIKeySNEMMJQEKDOSTE-UHFFFAOYSA-N
XLogP3.02
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.02
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

4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
5-chloro-2-[5-[(4-chlorophenyl)sulfonylamino]pentanoylamino]benzoic acid
CID 25175267
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide?
The IUPAC name of 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide (CID 71392994) is 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide?
The canonical SMILES for 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide is [N-]=[N+]=NC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide?
The InChIKey is SNEMMJQEKDOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c13-10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(18)16-17-14/h5-8,15H,1-4,9H2.
What are the key properties of 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide?
6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide has a molecular weight of 330.80 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide is sourced from PubChem (CID 71392994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).