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

C14H12F3NO2S — CID 51169578

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F3NO2S/c1-9(13-7-4-11(16)8-14(13)17)18-21(19,20)12-5-2-10(15)3-6-12/h2-9,18H,1H3
InChIKeyMMVRAEHCVMEYBS-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.14
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 51169578) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID51169578
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F3NO2S/c1-9(13-7-4-11(16)8-14(13)17)18-21(19,20)12-5-2-10(15)3-6-12/h2-9,18H,1H3
InChIKeyMMVRAEHCVMEYBS-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467672
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide (CID 51169578) is N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is MMVRAEHCVMEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-9(13-7-4-11(16)8-14(13)17)18-21(19,20)12-5-2-10(15)3-6-12/h2-9,18H,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide?
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 51169578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).