N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide

C9H11ClFNO2S — CID 62999646

IUPACN-(2-chloro-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-6(2)15(13,14)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKeyNJXMNWFNEVTXQE-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.63
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide

N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide (PubChem CID 62999646) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)propane-2-sulfonamide
PubChem CID62999646
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC NameN-(2-chloro-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-6(2)15(13,14)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKeyNJXMNWFNEVTXQE-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide (CID 62999646) is N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide?
The InChIKey is NJXMNWFNEVTXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-6(2)15(13,14)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide?
N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide has a molecular weight of 251.71 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 62999646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).