2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H9Cl2F4NO2S — CID 107493038

IUPAC2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H9Cl2F4NO2S/c11-3-4-17(6-10(14,15)16)20(18,19)9-5-7(13)1-2-8(9)12/h1-2,5H,3-4,6H2
InChIKeyBVBURWJYLVCSQN-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.27
Rot. Bonds5

About 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107493038) has the molecular formula C10H9Cl2F4NO2S and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107493038
Molecular FormulaC10H9Cl2F4NO2S
Molecular Weight354.15 g/mol
Exact Mass352.97
IUPAC Name2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H9Cl2F4NO2S/c11-3-4-17(6-10(14,15)16)20(18,19)9-5-7(13)1-2-8(9)12/h1-2,5H,3-4,6H2
InChIKeyBVBURWJYLVCSQN-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483777
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
CID 102873388
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 75483847
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
N-(2-bromoethyl)-3,4-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107493038) is 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1cc(F)ccc1Cl)N(CCCl)CC(F)(F)F.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is BVBURWJYLVCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F4NO2S/c11-3-4-17(6-10(14,15)16)20(18,19)9-5-7(13)1-2-8(9)12/h1-2,5H,3-4,6H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 354.15 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107493038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).