N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide

C11H16ClFN2O2S — CID 114138711

IUPACN-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(13)8-10(11)12/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyVJQREUHUTYENIH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.22
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide

N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide (PubChem CID 114138711) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
PubChem CID114138711
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(13)8-10(11)12/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyVJQREUHUTYENIH-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.22
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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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
CID 43807712
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
CID 106056316

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide (CID 114138711) is N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is VJQREUHUTYENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(13)8-10(11)12/h3-4,8,14-15H,2,5-7H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide?
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114138711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).