2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C17H17F2N3O5S — CID 52696059

IUPAC2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C17H17F2N3O5S/c1-10(2)21(3)28(26,27)12-5-7-14(18)13(9-12)17(23)20-16-8-11(22(24)25)4-6-15(16)19/h4-10H,1-3H3,(H,20,23)
InChIKeyNHDARSUUMGCPSR-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.15
Rot. Bonds6

About 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 52696059) has the molecular formula C17H17F2N3O5S and a molecular weight of 413.40 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID52696059
Molecular FormulaC17H17F2N3O5S
Molecular Weight413.40 g/mol
Exact Mass413.09
IUPAC Name2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C17H17F2N3O5S/c1-10(2)21(3)28(26,27)12-5-7-14(18)13(9-12)17(23)20-16-8-11(22(24)25)4-6-15(16)19/h4-10H,1-3H3,(H,20,23)
InChIKeyNHDARSUUMGCPSR-UHFFFAOYSA-N
XLogP3.15
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.15
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'}

Analyze 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 60543355
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
CID 31929454
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-5-nitrobenzamide
CID 61041847
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 52696059) is 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1.
What is the InChIKey of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is NHDARSUUMGCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O5S/c1-10(2)21(3)28(26,27)12-5-7-14(18)13(9-12)17(23)20-16-8-11(22(24)25)4-6-15(16)19/h4-10H,1-3H3,(H,20,23).
What are the key properties of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 413.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 52696059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).