2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide

C15H15FN2O4S — CID 33102586

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
SMILESCONC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O4S/c1-22-17-15(19)10-11-2-6-13(7-3-11)18-23(20,21)14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeySMIWZGQCHCPHSF-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.85
Rot. Bonds6

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide (PubChem CID 33102586) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
PubChem CID33102586
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
SMILESCONC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O4S/c1-22-17-15(19)10-11-2-6-13(7-3-11)18-23(20,21)14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeySMIWZGQCHCPHSF-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26698644
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55868918
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide (CID 33102586) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide is CONC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide?
The InChIKey is SMIWZGQCHCPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-22-17-15(19)10-11-2-6-13(7-3-11)18-23(20,21)14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide has a molecular weight of 338.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide is sourced from PubChem (CID 33102586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).