N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide

C11H17ClN2O2S — CID 114141200

IUPACN-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O2S/c1-2-7-13-8-9-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyVMODSCUMLSXGLS-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.08
Rot. Bonds7

About N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide

N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide (PubChem CID 114141200) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
PubChem CID114141200
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O2S/c1-2-7-13-8-9-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyVMODSCUMLSXGLS-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.08
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-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
CID 106056316
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide (CID 114141200) is N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is VMODSCUMLSXGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-2-7-13-8-9-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide?
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114141200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).