2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide

C15H13F2N3O5S — CID 60583733

IUPAC2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O5S/c16-10-1-6-13(14(17)9-10)15(21)18-7-8-19-26(24,25)12-4-2-11(3-5-12)20(22)23/h1-6,9,19H,7-8H2,(H,18,21)
InChIKeyRCTSCHYDUDROCY-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.58
Rot. Bonds7

About 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide

2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide (PubChem CID 60583733) has the molecular formula C15H13F2N3O5S and a molecular weight of 385.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
PubChem CID60583733
Molecular FormulaC15H13F2N3O5S
Molecular Weight385.35 g/mol
Exact Mass385.05
IUPAC Name2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O5S/c16-10-1-6-13(14(17)9-10)15(21)18-7-8-19-26(24,25)12-4-2-11(3-5-12)20(22)23/h1-6,9,19H,7-8H2,(H,18,21)
InChIKeyRCTSCHYDUDROCY-UHFFFAOYSA-N
XLogP1.58
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2,4-difluoro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46655559
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide (CID 60583733) is 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide is O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is RCTSCHYDUDROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O5S/c16-10-1-6-13(14(17)9-10)15(21)18-7-8-19-26(24,25)12-4-2-11(3-5-12)20(22)23/h1-6,9,19H,7-8H2,(H,18,21).
What are the key properties of 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 385.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 60583733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).