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

C10H13ClFNO2S — CID 115610807

IUPAC2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyPBFVIQMFUOBCEO-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.51
Rot. Bonds4

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

2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide (PubChem CID 115610807) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
PubChem CID115610807
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyPBFVIQMFUOBCEO-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 75483847
2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 54900227
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510780
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970204
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155287730
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide (CID 115610807) is 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide?
The InChIKey is PBFVIQMFUOBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide?
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115610807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).