3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide

C19H14FN3O4S — CID 170977001

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
SMILESO=Nc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1
InChIInChI=1S/C19H14FN3O4S/c20-14-5-2-8-17(11-14)23-28(26,27)18-9-1-4-13(10-18)19(24)21-15-6-3-7-16(12-15)22-25/h1-12,23H,(H,21,24)
InChIKeyZMPGNYUJCJLRDN-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.28
Rot. Bonds6

About 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide

3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide (PubChem CID 170977001) has the molecular formula C19H14FN3O4S and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
PubChem CID170977001
Molecular FormulaC19H14FN3O4S
Molecular Weight399.40 g/mol
Exact Mass399.07
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
SMILESO=Nc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1
InChIInChI=1S/C19H14FN3O4S/c20-14-5-2-8-17(11-14)23-28(26,27)18-9-1-4-13(10-18)19(24)21-15-6-3-7-16(12-15)22-25/h1-12,23H,(H,21,24)
InChIKeyZMPGNYUJCJLRDN-UHFFFAOYSA-N
XLogP4.28
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide (CID 170977001) is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide is O=Nc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide?
The InChIKey is ZMPGNYUJCJLRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4S/c20-14-5-2-8-17(11-14)23-28(26,27)18-9-1-4-13(10-18)19(24)21-15-6-3-7-16(12-15)22-25/h1-12,23H,(H,21,24).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide?
3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide has a molecular weight of 399.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide is sourced from PubChem (CID 170977001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).