5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide

C10H14ClFN2O2S — CID 43256891

IUPAC5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(13)5-8(11)10(9)12/h5-6H,3-4,13H2,1-2H3
InChIKeyUHGRHPKLFIBWEW-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide

5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide (PubChem CID 43256891) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
PubChem CID43256891
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(13)5-8(11)10(9)12/h5-6H,3-4,13H2,1-2H3
InChIKeyUHGRHPKLFIBWEW-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide (CID 43256891) is 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The InChIKey is UHGRHPKLFIBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(13)5-8(11)10(9)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43256891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).