N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide

C19H14F4N2O5S2 — CID 24662739

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F4N2O5S2/c20-13-4-10-17(11-5-13)31(26,27)24-14-6-8-15(9-7-14)25-32(28,29)18-3-1-2-16(12-18)30-19(21,22)23/h1-12,24-25H
InChIKeyIQTGRHYOHPUFHK-UHFFFAOYSA-N
MW490.46 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24662739) has the molecular formula C19H14F4N2O5S2 and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID24662739
Molecular FormulaC19H14F4N2O5S2
Molecular Weight490.46 g/mol
Exact Mass490.03
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F4N2O5S2/c20-13-4-10-17(11-5-13)31(26,27)24-14-6-8-15(9-7-14)25-32(28,29)18-3-1-2-16(12-18)30-19(21,22)23/h1-12,24-25H
InChIKeyIQTGRHYOHPUFHK-UHFFFAOYSA-N
XLogP4.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

Analyze N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide 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

N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N,N-diethyl-2-methyl-5-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide
CID 31692130
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 24662739) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IQTGRHYOHPUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O5S2/c20-13-4-10-17(11-5-13)31(26,27)24-14-6-8-15(9-7-14)25-32(28,29)18-3-1-2-16(12-18)30-19(21,22)23/h1-12,24-25H.
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 490.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24662739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).