3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C16H14F3N3O5S — CID 17192801

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O5S/c17-16(18,19)13-3-1-2-4-14(13)21-15(23)9-10-20-28(26,27)12-7-5-11(6-8-12)22(24)25/h1-8,20H,9-10H2,(H,21,23)
InChIKeyCWQPSNZHGVJRBN-UHFFFAOYSA-N
MW417.37 g/mol
LogP2.92
Rot. Bonds7

About 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 17192801) has the molecular formula C16H14F3N3O5S and a molecular weight of 417.37 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID17192801
Molecular FormulaC16H14F3N3O5S
Molecular Weight417.37 g/mol
Exact Mass417.06
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O5S/c17-16(18,19)13-3-1-2-4-14(13)21-15(23)9-10-20-28(26,27)12-7-5-11(6-8-12)22(24)25/h1-8,20H,9-10H2,(H,21,23)
InChIKeyCWQPSNZHGVJRBN-UHFFFAOYSA-N
XLogP2.92
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
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-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17193049
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 17192958
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192871

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 17192801) is 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CWQPSNZHGVJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O5S/c17-16(18,19)13-3-1-2-4-14(13)21-15(23)9-10-20-28(26,27)12-7-5-11(6-8-12)22(24)25/h1-8,20H,9-10H2,(H,21,23).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 417.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 17192801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).