N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide

C10H14ClFN2O2S — CID 54972153

IUPACN-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2O2S/c1-2-13-5-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyXSKBIZPONNGFGV-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.83
Rot. Bonds6

About N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54972153) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54972153
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2O2S/c1-2-13-5-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyXSKBIZPONNGFGV-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide (CID 54972153) is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is XSKBIZPONNGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-2-13-5-6-17(15,16)14-8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide?
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54972153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).