5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 120723547

IUPAC5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NCC[C@H]1CCCN1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)9-13(10)19(17,18)16-8-6-12-3-2-7-15-12;/h4-5,9,12,15-16H,2-3,6-8H2,1H3;1H/t12-;/m1./s1
InChIKeyUKOSVYGMNFHESJ-UTONKHPSSA-N
MW322.83 g/mol
LogP1.98
Rot. Bonds5

About 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120723547) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120723547
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NCC[C@H]1CCCN1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)9-13(10)19(17,18)16-8-6-12-3-2-7-15-12;/h4-5,9,12,15-16H,2-3,6-8H2,1H3;1H/t12-;/m1./s1
InChIKeyUKOSVYGMNFHESJ-UTONKHPSSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723543
2,5-dibromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794097
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972561
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120723547) is 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is Cc1ccc(F)cc1S(=O)(=O)NCC[C@H]1CCCN1.Cl.
What is the InChIKey of 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is UKOSVYGMNFHESJ-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)9-13(10)19(17,18)16-8-6-12-3-2-7-15-12;/h4-5,9,12,15-16H,2-3,6-8H2,1H3;1H/t12-;/m1./s1.
What are the key properties of 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).