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

C15H13ClF2N2O3S — CID 1289819

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(24(22,23)12-5-2-10(17)3-6-12)9-15(21)19-11-4-7-14(18)13(16)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyNMFLQFDQVCJYKE-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.88
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 1289819) has the molecular formula C15H13ClF2N2O3S and a molecular weight of 374.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID1289819
Molecular FormulaC15H13ClF2N2O3S
Molecular Weight374.80 g/mol
Exact Mass374.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(24(22,23)12-5-2-10(17)3-6-12)9-15(21)19-11-4-7-14(18)13(16)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyNMFLQFDQVCJYKE-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 1289819) is N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NMFLQFDQVCJYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3S/c1-20(24(22,23)12-5-2-10(17)3-6-12)9-15(21)19-11-4-7-14(18)13(16)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 374.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).