4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide

C22H20FN3O5S — CID 46565388

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O5S/c1-15(17-4-3-5-20(14-17)26(28)29)25(2)22(27)16-6-10-19(11-7-16)24-32(30,31)21-12-8-18(23)9-13-21/h3-15,24H,1-2H3
InChIKeyNAYXZSMONJWGIU-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.37
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 46565388) has the molecular formula C22H20FN3O5S and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID46565388
Molecular FormulaC22H20FN3O5S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O5S/c1-15(17-4-3-5-20(14-17)26(28)29)25(2)22(27)16-6-10-19(11-7-16)24-32(30,31)21-12-8-18(23)9-13-21/h3-15,24H,1-2H3
InChIKeyNAYXZSMONJWGIU-UHFFFAOYSA-N
XLogP4.37
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.37
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

4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55408209
4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525683
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide
CID 46457472
3-(tert-butylsulfamoyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46566213
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)acetamide
CID 26561646
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-(4-fluorophenyl)-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55843459

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 46565388) is 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide is CC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is NAYXZSMONJWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5S/c1-15(17-4-3-5-20(14-17)26(28)29)25(2)22(27)16-6-10-19(11-7-16)24-32(30,31)21-12-8-18(23)9-13-21/h3-15,24H,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 457.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 46565388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).