4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 60713097

IUPAC4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(8-13(14)16)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyHEEDLOMTEOKGCI-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.30
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide

4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide (PubChem CID 60713097) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
PubChem CID60713097
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(8-13(14)16)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyHEEDLOMTEOKGCI-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106214076
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 51160194
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide (CID 60713097) is 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide?
The InChIKey is HEEDLOMTEOKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(8-13(14)16)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20).
What are the key properties of 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide?
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 60713097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).