4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide

C20H15F2N3O4S — CID 25163751

IUPAC4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F2N3O4S/c21-14-7-11-16(12-8-14)30(28,29)25-15-9-5-13(6-10-15)19(26)23-24-20(27)17-3-1-2-4-18(17)22/h1-12,25H,(H,23,26)(H,24,27)
InChIKeyFDWRCHDHKCPTLA-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.84
Rot. Bonds5

About 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 25163751) has the molecular formula C20H15F2N3O4S and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID25163751
Molecular FormulaC20H15F2N3O4S
Molecular Weight431.42 g/mol
Exact Mass431.08
IUPAC Name4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F2N3O4S/c21-14-7-11-16(12-8-14)30(28,29)25-15-9-5-13(6-10-15)19(26)23-24-20(27)17-3-1-2-4-18(17)22/h1-12,25H,(H,23,26)(H,24,27)
InChIKeyFDWRCHDHKCPTLA-UHFFFAOYSA-N
XLogP2.84
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide (CID 25163751) is 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide is O=C(NNC(=O)c1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is FDWRCHDHKCPTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O4S/c21-14-7-11-16(12-8-14)30(28,29)25-15-9-5-13(6-10-15)19(26)23-24-20(27)17-3-1-2-4-18(17)22/h1-12,25H,(H,23,26)(H,24,27).
What are the key properties of 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 431.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25163751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).