2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C10H12ClF3N2O2S — CID 119966989

IUPAC2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7;/h3-4,7,14-15H,1-2,5H2;1H
InChIKeyITFYEAWDSBVYNL-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.17
Rot. Bonds3

About 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119966989) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119966989
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7;/h3-4,7,14-15H,1-2,5H2;1H
InChIKeyITFYEAWDSBVYNL-UHFFFAOYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 103976987
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119966989) is 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is ITFYEAWDSBVYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S.ClH/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7;/h3-4,7,14-15H,1-2,5H2;1H.
What are the key properties of 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 316.73 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119966989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).