4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

C11H15Cl2N3O2S — CID 119964777

IUPAC4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1.Cl
InChIInChI=1S/C11H14ClN3O2S.ClH/c1-14-5-2-6-15-18(16,17)10-3-4-11(12)9(7-10)8-13;/h3-4,7,14-15H,2,5-6H2,1H3;1H
InChIKeyWLNHCKJUZDRGJP-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.52
Rot. Bonds6

About 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 119964777) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID119964777
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC Name4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1.Cl
InChIInChI=1S/C11H14ClN3O2S.ClH/c1-14-5-2-6-15-18(16,17)10-3-4-11(12)9(7-10)8-13;/h3-4,7,14-15H,2,5-6H2,1H3;1H
InChIKeyWLNHCKJUZDRGJP-UHFFFAOYSA-N
XLogP1.52
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride 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-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964778
4-chloro-3-cyano-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 120717619
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
4-cyano-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973335
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 119964777) is 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1.Cl.
What is the InChIKey of 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is WLNHCKJUZDRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S.ClH/c1-14-5-2-6-15-18(16,17)10-3-4-11(12)9(7-10)8-13;/h3-4,7,14-15H,2,5-6H2,1H3;1H.
What are the key properties of 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 324.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).