3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C11H16ClFN2O2S — CID 119974220

IUPAC3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-8-10-4-2-6-13-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H
InChIKeyYCYJZOHTTLZRRG-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.28
Rot. Bonds4

About 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974220) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974220
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-8-10-4-2-6-13-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H
InChIKeyYCYJZOHTTLZRRG-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 63305065
3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 55056998
3-fluoro-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708923
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974220) is 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCN1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is YCYJZOHTTLZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S.ClH/c12-9-3-1-5-11(7-9)17(15,16)14-8-10-4-2-6-13-10;/h1,3,5,7,10,13-14H,2,4,6,8H2;1H.
What are the key properties of 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).