2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H13F3N2O2S — CID 55172954

IUPAC2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O2S/c1-16(7-4-5-15-6-7)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3
InChIKeyVZRQEABATVRTQE-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.09
Rot. Bonds3

About 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55172954) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55172954
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O2S/c1-16(7-4-5-15-6-7)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3
InChIKeyVZRQEABATVRTQE-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 120712698
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297857
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55172954) is 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is VZRQEABATVRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-16(7-4-5-15-6-7)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55172954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).