2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide

C14H20FN3O2S — CID 102920675

IUPAC2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H20FN3O2S/c15-11-2-1-10(8-16)14(7-11)21(19,20)17-12-5-6-18(9-12)13-3-4-13/h1-2,7,12-13,17H,3-6,8-9,16H2
InChIKeyRIOONMNFLTXDLA-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.80
Rot. Bonds5

About 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide (PubChem CID 102920675) has the molecular formula C14H20FN3O2S and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide
PubChem CID102920675
Molecular FormulaC14H20FN3O2S
Molecular Weight313.40 g/mol
Exact Mass313.13
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H20FN3O2S/c15-11-2-1-10(8-16)14(7-11)21(19,20)17-12-5-6-18(9-12)13-3-4-13/h1-2,7,12-13,17H,3-6,8-9,16H2
InChIKeyRIOONMNFLTXDLA-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 146078574
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
1-cyclopropyl-N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 55139840
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-5-sulfonamide
CID 62156639
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide (CID 102920675) is 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide?
The InChIKey is RIOONMNFLTXDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2S/c15-11-2-1-10(8-16)14(7-11)21(19,20)17-12-5-6-18(9-12)13-3-4-13/h1-2,7,12-13,17H,3-6,8-9,16H2.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 102920675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).