N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide

C17H19ClFN3O2S — CID 90683507

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide
SMILESC/C(=N\c1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFN3O2S/c1-13(21-16-7-5-15(19)6-8-16)22(2)12-11-20-25(23,24)17-9-3-14(18)4-10-17/h3-10,20H,11-12H2,1-2H3/b21-13+
InChIKeyOMAGXKHTVIIRLA-FYJGNVAPSA-N
MW383.88 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide (PubChem CID 90683507) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide
PubChem CID90683507
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide
SMILESC/C(=N\c1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFN3O2S/c1-13(21-16-7-5-15(19)6-8-16)22(2)12-11-20-25(23,24)17-9-3-14(18)4-10-17/h3-10,20H,11-12H2,1-2H3/b21-13+
InChIKeyOMAGXKHTVIIRLA-FYJGNVAPSA-N
XLogP3.44
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-methyl-N'-(4-methylphenyl)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]ethanimidamide
CID 12032096
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N'-(4-methoxyphenyl)-N-methyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]ethanimidamide
CID 12032097
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113057110
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066109

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide (CID 90683507) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide is C/C(=N\c1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide?
The InChIKey is OMAGXKHTVIIRLA-FYJGNVAPSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c1-13(21-16-7-5-15(19)6-8-16)22(2)12-11-20-25(23,24)17-9-3-14(18)4-10-17/h3-10,20H,11-12H2,1-2H3/b21-13+.
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide has a molecular weight of 383.88 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide is sourced from PubChem (CID 90683507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).