N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H14ClFN2O2S — CID 54972105

IUPACN-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(6-11(10)13)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyQJVKZDHVZQLBLI-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.97
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972105) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972105
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(6-11(10)13)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyQJVKZDHVZQLBLI-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972105) is N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is QJVKZDHVZQLBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(6-11(10)13)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).