4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H15FN2O2S — CID 60807173

IUPAC4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyRVVXTYPZZWGVOF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.81
Rot. Bonds3

About 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 60807173) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID60807173
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyRVVXTYPZZWGVOF-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 68691572
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 60807173) is 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is RVVXTYPZZWGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 60807173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).