5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide

C13H21ClN2O3S — CID 110757907

IUPAC5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C13H21ClN2O3S/c1-10-8-12(19-4)13(9-11(10)14)20(17,18)15-6-5-7-16(2)3/h8-9,15H,5-7H2,1-4H3
InChIKeyYLOKXEGVXKYFRP-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.89
Rot. Bonds7

About 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide

5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 110757907) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
PubChem CID110757907
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C13H21ClN2O3S/c1-10-8-12(19-4)13(9-11(10)14)20(17,18)15-6-5-7-16(2)3/h8-9,15H,5-7H2,1-4H3
InChIKeyYLOKXEGVXKYFRP-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 3046709
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
CID 110758589
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
bis[2,4-dichloro-6-[3-(dimethylamino)propylsulfamoyl]phenyl] oxalate
CID 70378311
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053358
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide (CID 110757907) is 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is YLOKXEGVXKYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-10-8-12(19-4)13(9-11(10)14)20(17,18)15-6-5-7-16(2)3/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide?
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 110757907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).