5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

C11H17ClFN3O2S — CID 61127828

IUPAC5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)c(F)cc1Cl)N(C)C
InChIInChI=1S/C11H17ClFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-5-10(14)9(13)4-8(11)12/h4-5,7,15H,6,14H2,1-3H3
InChIKeyVDVAVUHQMRSTNJ-UHFFFAOYSA-N
MW309.79 g/mol
LogP1.29
Rot. Bonds5

About 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 61127828) has the molecular formula C11H17ClFN3O2S and a molecular weight of 309.79 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID61127828
Molecular FormulaC11H17ClFN3O2S
Molecular Weight309.79 g/mol
Exact Mass309.07
IUPAC Name5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)c(F)cc1Cl)N(C)C
InChIInChI=1S/C11H17ClFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-5-10(14)9(13)4-8(11)12/h4-5,7,15H,6,14H2,1-3H3
InChIKeyVDVAVUHQMRSTNJ-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (CID 61127828) is 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is CC(CNS(=O)(=O)c1cc(N)c(F)cc1Cl)N(C)C.
What is the InChIKey of 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is VDVAVUHQMRSTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-5-10(14)9(13)4-8(11)12/h4-5,7,15H,6,14H2,1-3H3.
What are the key properties of 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 309.79 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61127828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).