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

C13H20ClFN2O2S — CID 119976534

IUPAC2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-2-9-16(11-7-8-15-10-11)19(17,18)13-6-4-3-5-12(13)14;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKeySIIVQBGHZJQVKL-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.01
Rot. Bonds5

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

2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119976534) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119976534
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-2-9-16(11-7-8-15-10-11)19(17,18)13-6-4-3-5-12(13)14;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKeySIIVQBGHZJQVKL-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 119976613
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119976534) is 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1ccccc1F.Cl.
What is the InChIKey of 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SIIVQBGHZJQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-2-9-16(11-7-8-15-10-11)19(17,18)13-6-4-3-5-12(13)14;/h3-6,11,15H,2,7-10H2,1H3;1H.
What are the key properties of 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).