N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide

C20H17FN4O4S — CID 35152346

IUPACN-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C20H17FN4O4S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)20(27)24-23-19(26)14-3-2-10-22-12-14/h2-12,25H,1H3,(H,23,26)(H,24,27)
InChIKeyLOPKZLBAXVLGBP-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.40
Rot. Bonds5

About N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide

N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 35152346) has the molecular formula C20H17FN4O4S and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID35152346
Molecular FormulaC20H17FN4O4S
Molecular Weight428.45 g/mol
Exact Mass428.10
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C20H17FN4O4S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)20(27)24-23-19(26)14-3-2-10-22-12-14/h2-12,25H,1H3,(H,23,26)(H,24,27)
InChIKeyLOPKZLBAXVLGBP-UHFFFAOYSA-N
XLogP2.40
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(8-methylquinolin-5-yl)benzamide
CID 38266314
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24625202
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43004149
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2348802
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 38538539
6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
CID 4732228
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide (CID 35152346) is N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is LOPKZLBAXVLGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)20(27)24-23-19(26)14-3-2-10-22-12-14/h2-12,25H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide?
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 428.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 35152346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).