2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide

C14H12ClFN2O3S — CID 2985121

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide
SMILESNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClFN2O3S/c15-12-8-10(6-7-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19)
InChIKeyAGOXZELGNJYMFV-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.16
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide (PubChem CID 2985121) has the molecular formula C14H12ClFN2O3S and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide
PubChem CID2985121
Molecular FormulaC14H12ClFN2O3S
Molecular Weight342.78 g/mol
Exact Mass342.02
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide
SMILESNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClFN2O3S/c15-12-8-10(6-7-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19)
InChIKeyAGOXZELGNJYMFV-UHFFFAOYSA-N
XLogP2.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide (CID 2985121) is 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide is NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide?
The InChIKey is AGOXZELGNJYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S/c15-12-8-10(6-7-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide has a molecular weight of 342.78 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetamide is sourced from PubChem (CID 2985121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).