N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

C14H12FN3O4S2 — CID 20917065

IUPACN-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESO=S1(=O)N=CNc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21
InChIInChI=1S/C14H12FN3O4S2/c15-11-3-1-10(2-4-11)8-17-23(19,20)12-5-6-13-14(7-12)24(21,22)18-9-16-13/h1-7,9,17H,8H2,(H,16,18)
InChIKeyQPERLJDRMBMBPY-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.45
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 20917065) has the molecular formula C14H12FN3O4S2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID20917065
Molecular FormulaC14H12FN3O4S2
Molecular Weight369.40 g/mol
Exact Mass369.03
IUPAC NameN-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESO=S1(=O)N=CNc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21
InChIInChI=1S/C14H12FN3O4S2/c15-11-3-1-10(2-4-11)8-17-23(19,20)12-5-6-13-14(7-12)24(21,22)18-9-16-13/h1-7,9,17H,8H2,(H,16,18)
InChIKeyQPERLJDRMBMBPY-UHFFFAOYSA-N
XLogP1.45
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 20917065) is N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is O=S1(=O)N=CNc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is QPERLJDRMBMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4S2/c15-11-3-1-10(2-4-11)8-17-23(19,20)12-5-6-13-14(7-12)24(21,22)18-9-16-13/h1-7,9,17H,8H2,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 369.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 20917065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).