N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide

C12H17FN2O2S — CID 54972264

IUPACN-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)CC2CCCN2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)15-18(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyQOFGDGZMQFCGTR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.63
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972264) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972264
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)CC2CCCN2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)15-18(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyQOFGDGZMQFCGTR-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(2,5-dimethylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973643

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972264) is N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide is Cc1ccc(F)c(NS(=O)(=O)CC2CCCN2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is QOFGDGZMQFCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)15-18(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).