N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C15H14ClFN2O3S — CID 1006024

IUPACN-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(23(21,22)14-7-5-12(17)6-8-14)10-15(20)18-13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHEZZCJGZUJZWBA-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.74
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 1006024) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID1006024
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC NameN-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(23(21,22)14-7-5-12(17)6-8-14)10-15(20)18-13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHEZZCJGZUJZWBA-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 1006024) is N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is HEZZCJGZUJZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-19(23(21,22)14-7-5-12(17)6-8-14)10-15(20)18-13-4-2-3-11(16)9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).