2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide

C15H15FN2O3S — CID 705042

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18(11-15(17)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19)
InChIKeyMBJHQHGKZPTNJT-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.50
Rot. Bonds6

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 705042) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID705042
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18(11-15(17)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19)
InChIKeyMBJHQHGKZPTNJT-UHFFFAOYSA-N
XLogP1.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 705042) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide is NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is MBJHQHGKZPTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18(11-15(17)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 322.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).