2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide

C10H12Cl2FNO2S — CID 103087908

IUPAC2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H12Cl2FNO2S/c1-3-14(4-2)17(15,16)8-6-5-7(11)10(13)9(8)12/h5-6H,3-4H2,1-2H3
InChIKeyRMPQBOZEWSKHAG-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.16
Rot. Bonds4

About 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide

2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide (PubChem CID 103087908) has the molecular formula C10H12Cl2FNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
PubChem CID103087908
Molecular FormulaC10H12Cl2FNO2S
Molecular Weight300.18 g/mol
Exact Mass298.99
IUPAC Name2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H12Cl2FNO2S/c1-3-14(4-2)17(15,16)8-6-5-7(11)10(13)9(8)12/h5-6H,3-4H2,1-2H3
InChIKeyRMPQBOZEWSKHAG-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propylamino]ethanethioamide
CID 103088140
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 114230859
2,4-dichloro-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103088037
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089670
2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide (CID 103087908) is 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide?
The InChIKey is RMPQBOZEWSKHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO2S/c1-3-14(4-2)17(15,16)8-6-5-7(11)10(13)9(8)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide?
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide has a molecular weight of 300.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103087908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).