N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C20H16FN3O5S — CID 1318812

IUPACN-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1
InChIInChI=1S/C20H16FN3O5S/c21-15-7-6-8-16(13-15)22-20(25)14-23(17-9-2-1-3-10-17)30(28,29)19-12-5-4-11-18(19)24(26)27/h1-13H,14H2,(H,22,25)
InChIKeyCILLDVFMYQGHQV-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.57
Rot. Bonds7

About N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 1318812) has the molecular formula C20H16FN3O5S and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID1318812
Molecular FormulaC20H16FN3O5S
Molecular Weight429.43 g/mol
Exact Mass429.08
IUPAC NameN-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1
InChIInChI=1S/C20H16FN3O5S/c21-15-7-6-8-16(13-15)22-20(25)14-23(17-9-2-1-3-10-17)30(28,29)19-12-5-4-11-18(19)24(26)27/h1-13H,14H2,(H,22,25)
InChIKeyCILLDVFMYQGHQV-UHFFFAOYSA-N
XLogP3.57
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1320235
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106
2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide
CID 24581492
2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1319342
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
CID 50892892
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879296
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 1318812) is N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is CILLDVFMYQGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5S/c21-15-7-6-8-16(13-15)22-20(25)14-23(17-9-2-1-3-10-17)30(28,29)19-12-5-4-11-18(19)24(26)27/h1-13H,14H2,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 429.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1318812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).