2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide

C14H14ClFN2O4S2 — CID 42646007

IUPAC2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-13-6-5-12(16)9-14(13)24(17,21)22/h1-6,9,18H,7-8H2,(H2,17,21,22)
InChIKeyJQIOOEILFNIXIL-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide

2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide (PubChem CID 42646007) has the molecular formula C14H14ClFN2O4S2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide
PubChem CID42646007
Molecular FormulaC14H14ClFN2O4S2
Molecular Weight392.86 g/mol
Exact Mass392.01
IUPAC Name2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-13-6-5-12(16)9-14(13)24(17,21)22/h1-6,9,18H,7-8H2,(H2,17,21,22)
InChIKeyJQIOOEILFNIXIL-UHFFFAOYSA-N
XLogP2.11
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide (CID 42646007) is 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide?
The InChIKey is JQIOOEILFNIXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-13-6-5-12(16)9-14(13)24(17,21)22/h1-6,9,18H,7-8H2,(H2,17,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide?
2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 42646007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).