2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide

C14H12F4N2O3S — CID 127047878

IUPAC2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1
InChIInChI=1S/C14H12F4N2O3S/c1-23-8-4-2-7(3-5-8)6-20-13-11(17)9(15)10(16)12(18)14(13)24(19,21)22/h2-5,20H,6H2,1H3,(H2,19,21,22)
InChIKeyQHALTIVQQSUKFD-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.51
Rot. Bonds5

About 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide

2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 127047878) has the molecular formula C14H12F4N2O3S and a molecular weight of 364.32 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID127047878
Molecular FormulaC14H12F4N2O3S
Molecular Weight364.32 g/mol
Exact Mass364.05
IUPAC Name2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1
InChIInChI=1S/C14H12F4N2O3S/c1-23-8-4-2-7(3-5-8)6-20-13-11(17)9(15)10(16)12(18)14(13)24(19,21)22/h2-5,20H,6H2,1H3,(H2,19,21,22)
InChIKeyQHALTIVQQSUKFD-UHFFFAOYSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]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

4-[(4-Methoxybenzyl)amino]benzenesulfonamide
CID 834412
4-[(4-Ethoxybenzyl)amino]benzenesulfonamide
CID 935117
CID 134794626
CID 134794626
CID 134794389
CID 134794389
CID 134794919
CID 134794919
CID 134795018
CID 134795018
N-(3-(4-(dimethylamino)phenyl)propyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16890841
CID 134792696
CID 134792696
3-[(4-Ethoxyphenyl)methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzenesulfonamide
CID 145972471
3-[[4-[(4-Fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
CID 155529966
1,1,1-trifluoro-N-phenyl-N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]methanesulfonamide
CID 164682247
CID 134792196
CID 134792196

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide (CID 127047878) is 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide is COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is QHALTIVQQSUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S/c1-23-8-4-2-7(3-5-8)6-20-13-11(17)9(15)10(16)12(18)14(13)24(19,21)22/h2-5,20H,6H2,1H3,(H2,19,21,22).
What are the key properties of 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 364.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 127047878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).