4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide

C12H18ClN3O3S — CID 70623191

IUPAC4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
SMILESNNC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O3S/c13-10-5-7-11(8-6-10)20(18,19)15-9-3-1-2-4-12(17)16-14/h5-8,15H,1-4,9,14H2,(H,16,17)
InChIKeyFCCNTDRNCGZIGT-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.17
Rot. Bonds8

About 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide

4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide (PubChem CID 70623191) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
PubChem CID70623191
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
SMILESNNC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O3S/c13-10-5-7-11(8-6-10)20(18,19)15-9-3-1-2-4-12(17)16-14/h5-8,15H,1-4,9,14H2,(H,16,17)
InChIKeyFCCNTDRNCGZIGT-UHFFFAOYSA-N
XLogP1.17
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
CID 71392994
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
5-chloro-2-[5-[(4-chlorophenyl)sulfonylamino]pentanoylamino]benzoic acid
CID 25175267
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide (CID 70623191) is 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide is NNC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide?
The InChIKey is FCCNTDRNCGZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c13-10-5-7-11(8-6-10)20(18,19)15-9-3-1-2-4-12(17)16-14/h5-8,15H,1-4,9,14H2,(H,16,17).
What are the key properties of 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide?
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide is sourced from PubChem (CID 70623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).