5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide

C10H15ClFN3O4S2 — CID 106333642

IUPAC5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H15ClFN3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-6-9(13)8(12)5-7(10)11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyXCTOVUBLJBPYPE-UHFFFAOYSA-N
MW359.83 g/mol
LogP0.23
Rot. Bonds6

About 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 106333642) has the molecular formula C10H15ClFN3O4S2 and a molecular weight of 359.83 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID106333642
Molecular FormulaC10H15ClFN3O4S2
Molecular Weight359.83 g/mol
Exact Mass359.02
IUPAC Name5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H15ClFN3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-6-9(13)8(12)5-7(10)11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyXCTOVUBLJBPYPE-UHFFFAOYSA-N
XLogP0.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide (CID 106333642) is 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is XCTOVUBLJBPYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-6-9(13)8(12)5-7(10)11/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 359.83 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106333642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).