N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

C12H18ClFN2O2S — CID 126615731

IUPACN-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC[C@@H]1C[C@@H](F)CN1)c1ccccc1
InChIInChI=1S/C12H17FN2O2S.ClH/c13-10-8-11(14-9-10)6-7-15-18(16,17)12-4-2-1-3-5-12;/h1-5,10-11,14-15H,6-9H2;1H/t10-,11-;/m1./s1
InChIKeyJRTBLTCSGJCKOG-NDXYWBNTSA-N
MW308.81 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 126615731) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID126615731
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC NameN-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC[C@@H]1C[C@@H](F)CN1)c1ccccc1
InChIInChI=1S/C12H17FN2O2S.ClH/c13-10-8-11(14-9-10)6-7-15-18(16,17)12-4-2-1-3-5-12;/h1-5,10-11,14-15H,6-9H2;1H/t10-,11-;/m1./s1
InChIKeyJRTBLTCSGJCKOG-NDXYWBNTSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 70710488
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
tert-butyl (2R,4R)-2-[2-(benzenesulfonamido)ethyl]-4-fluoropyrrolidine-1-carboxylate
CID 126627836
5-(benzenesulfonyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129394124
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (CID 126615731) is N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC[C@@H]1C[C@@H](F)CN1)c1ccccc1.
What is the InChIKey of N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is JRTBLTCSGJCKOG-NDXYWBNTSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c13-10-8-11(14-9-10)6-7-15-18(16,17)12-4-2-1-3-5-12;/h1-5,10-11,14-15H,6-9H2;1H/t10-,11-;/m1./s1.
What are the key properties of N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4R)-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 126615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).