2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide

C17H16F3NO2S — CID 51111664

IUPAC2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H16F3NO2S/c18-13-7-8-14(16(20)15(13)19)24(22,23)21-11-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,21H,4,9-11H2
InChIKeyVBRQLUSIZHGOFP-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.50
Rot. Bonds5

About 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide

2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 51111664) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
PubChem CID51111664
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H16F3NO2S/c18-13-7-8-14(16(20)15(13)19)24(22,23)21-11-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,21H,4,9-11H2
InChIKeyVBRQLUSIZHGOFP-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide (CID 51111664) is 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is VBRQLUSIZHGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-13-7-8-14(16(20)15(13)19)24(22,23)21-11-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,21H,4,9-11H2.
What are the key properties of 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide?
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 51111664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).