N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide

C15H13F2NO4S — CID 86992863

IUPACN-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NO4S/c1-22-11-3-5-12(6-4-11)23(20,21)9-15(19)18-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLXGSYQGSQXVYJB-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.39
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide

N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 86992863) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID86992863
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC NameN-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NO4S/c1-22-11-3-5-12(6-4-11)23(20,21)9-15(19)18-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLXGSYQGSQXVYJB-UHFFFAOYSA-N
XLogP2.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53279263
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
CID 8682019
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide (CID 86992863) is N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is LXGSYQGSQXVYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c1-22-11-3-5-12(6-4-11)23(20,21)9-15(19)18-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 341.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 86992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).