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

C11H12F3NO3S — CID 115455387

IUPAC2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO3S/c12-7-1-2-8(10(14)9(7)13)19(17,18)15-5-11(6-16)3-4-11/h1-2,15-16H,3-6H2
InChIKeyAJCTUOWSYMXNGL-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.15
Rot. Bonds5

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

2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 115455387) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID115455387
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO3S/c12-7-1-2-8(10(14)9(7)13)19(17,18)15-5-11(6-16)3-4-11/h1-2,15-16H,3-6H2
InChIKeyAJCTUOWSYMXNGL-UHFFFAOYSA-N
XLogP1.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 51111664
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
3-cyano-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455060
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456954
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456575

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide (CID 115455387) is 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(CO)CC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is AJCTUOWSYMXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-7-1-2-8(10(14)9(7)13)19(17,18)15-5-11(6-16)3-4-11/h1-2,15-16H,3-6H2.
What are the key properties of 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide?
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115455387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).