3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C11H16ClFN2O2S — CID 119966783

IUPAC3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCc1c(F)cccc1S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-8-10(12)3-2-4-11(8)17(15,16)14-9-5-6-13-7-9;/h2-4,9,13-14H,5-7H2,1H3;1H
InChIKeyBOMURKSRGDMGJQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.20
Rot. Bonds3

About 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119966783) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119966783
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCc1c(F)cccc1S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C11H15FN2O2S.ClH/c1-8-10(12)3-2-4-11(8)17(15,16)14-9-5-6-13-7-9;/h2-4,9,13-14H,5-7H2,1H3;1H
InChIKeyBOMURKSRGDMGJQ-UHFFFAOYSA-N
XLogP1.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2-methyl-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716604
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
2-methyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960629
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119966783) is 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cc1c(F)cccc1S(=O)(=O)NC1CCNC1.Cl.
What is the InChIKey of 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is BOMURKSRGDMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S.ClH/c1-8-10(12)3-2-4-11(8)17(15,16)14-9-5-6-13-7-9;/h2-4,9,13-14H,5-7H2,1H3;1H.
What are the key properties of 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119966783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).