N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide

C10H13FN2O2S — CID 43597025

IUPACN-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESNC1CC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2S/c11-8-3-1-7(2-4-8)6-16(14,15)13-10-5-9(10)12/h1-4,9-10,13H,5-6,12H2
InChIKeyIULVDSQEPZBAOB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.34
Rot. Bonds4

About N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide

N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 43597025) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID43597025
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESNC1CC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2S/c11-8-3-1-7(2-4-8)6-16(14,15)13-10-5-9(10)12/h1-4,9-10,13H,5-6,12H2
InChIKeyIULVDSQEPZBAOB-UHFFFAOYSA-N
XLogP0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43596906
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
CID 98112507
methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate
CID 43597111
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
(4-fluorophenyl)methanesulfonamide
CID 16785078
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
2-[(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxan-3-yl]oxyacetic acid
CID 91774935
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide (CID 43597025) is N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide is NC1CC1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is IULVDSQEPZBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-3-1-7(2-4-8)6-16(14,15)13-10-5-9(10)12/h1-4,9-10,13H,5-6,12H2.
What are the key properties of N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 43597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).