4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide

C20H16FN3O5S — CID 26576215

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16FN3O5S/c1-13-6-9-15(12-19(13)24(26)27)22-20(25)14-7-10-16(11-8-14)30(28,29)23-18-5-3-2-4-17(18)21/h2-12,23H,1H3,(H,22,25)
InChIKeyCQKJDEXAJZYHCH-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.10
Rot. Bonds6

About 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 26576215) has the molecular formula C20H16FN3O5S and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID26576215
Molecular FormulaC20H16FN3O5S
Molecular Weight429.43 g/mol
Exact Mass429.08
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16FN3O5S/c1-13-6-9-15(12-19(13)24(26)27)22-20(25)14-7-10-16(11-8-14)30(28,29)23-18-5-3-2-4-17(18)21/h2-12,23H,1H3,(H,22,25)
InChIKeyCQKJDEXAJZYHCH-UHFFFAOYSA-N
XLogP4.10
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.10
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-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 36525049
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide (CID 26576215) is 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is CQKJDEXAJZYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5S/c1-13-6-9-15(12-19(13)24(26)27)22-20(25)14-7-10-16(11-8-14)30(28,29)23-18-5-3-2-4-17(18)21/h2-12,23H,1H3,(H,22,25).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 429.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 26576215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).