N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide

C11H15FN2O2S — CID 65420035

IUPACN-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCNC2)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-2-3-11(10(12)6-8)14-17(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyZVNPPDMIMOSPAU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide

N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65420035) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
PubChem CID65420035
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC NameN-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCNC2)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-2-3-11(10(12)6-8)14-17(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyZVNPPDMIMOSPAU-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide (CID 65420035) is N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide is Cc1ccc(NS(=O)(=O)C2CCNC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is ZVNPPDMIMOSPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8-2-3-11(10(12)6-8)14-17(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide?
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65420035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).