3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide

C12H18Cl2N2O3S — CID 110758544

IUPAC3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C12H18Cl2N2O3S/c1-16(2)6-4-5-15-20(17,18)11-8-9(13)7-10(14)12(11)19-3/h7-8,15H,4-6H2,1-3H3
InChIKeyHHTIVWYSRAYGDD-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.23
Rot. Bonds7

About 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide

3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide (PubChem CID 110758544) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
PubChem CID110758544
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C12H18Cl2N2O3S/c1-16(2)6-4-5-15-20(17,18)11-8-9(13)7-10(14)12(11)19-3/h7-8,15H,4-6H2,1-3H3
InChIKeyHHTIVWYSRAYGDD-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.23
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

3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
bis[2,4-dichloro-6-[3-(dimethylamino)propylsulfamoyl]phenyl] oxalate
CID 70378311
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 3046709
5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 110758467
3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110758530
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
CID 110758589
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide (CID 110758544) is 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide is COc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide?
The InChIKey is HHTIVWYSRAYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-16(2)6-4-5-15-20(17,18)11-8-9(13)7-10(14)12(11)19-3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide?
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110758544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).