5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide

C11H16ClFN2O3S — CID 43257901

IUPAC5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-2-18-5-3-4-15-19(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3
InChIKeyRMKVSIWUVAZNOZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.77
Rot. Bonds7

About 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide (PubChem CID 43257901) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
PubChem CID43257901
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-2-18-5-3-4-15-19(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3
InChIKeyRMKVSIWUVAZNOZ-UHFFFAOYSA-N
XLogP1.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-chloro-4-fluorobenzenesulfonamide
CID 27993797
3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide
CID 28550765
5-amino-N-(3-ethoxypropyl)-2,4-difluorobenzenesulfonamide
CID 29548544
5-amino-2,4-difluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 43153262
3-amino-4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 43153265
5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
CID 43255452
5-amino-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 43255567
3-Chloro-4-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 43256821
5-amino-3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
CID 43256832
5-amino-3-chloro-2-fluoro-N-phenylbenzenesulfonamide
CID 43256843
5-amino-3-chloro-2-fluoro-N-propylbenzenesulfonamide
CID 43256852
5-amino-3-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256863

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide (CID 43257901) is 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide is CCOCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The InChIKey is RMKVSIWUVAZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c1-2-18-5-3-4-15-19(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43257901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).