N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide

C14H10F5NO2S — CID 78686890

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F5NO2S/c1-7(8-2-3-9(15)11(17)6-8)20-23(21,22)12-5-4-10(16)13(18)14(12)19/h2-7,20H,1H3
InChIKeyPQRQMJJWWOXDAN-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide

N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 78686890) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID78686890
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F5NO2S/c1-7(8-2-3-9(15)11(17)6-8)20-23(21,22)12-5-4-10(16)13(18)14(12)19/h2-7,20H,1H3
InChIKeyPQRQMJJWWOXDAN-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.42
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

N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61051043
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
2,3,4-trifluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 84843192
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide (CID 78686890) is N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is PQRQMJJWWOXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c1-7(8-2-3-9(15)11(17)6-8)20-23(21,22)12-5-4-10(16)13(18)14(12)19/h2-7,20H,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide?
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 78686890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).