4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide

C16H18FN3O4S2 — CID 119101281

IUPAC4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCN1c2ccccc2N(C)S1(=O)=O
InChIInChI=1S/C16H18FN3O4S2/c1-12-11-13(17)7-8-16(12)25(21,22)18-9-10-20-15-6-4-3-5-14(15)19(2)26(20,23)24/h3-8,11,18H,9-10H2,1-2H3
InChIKeyZRININHYYRIVDL-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.61
Rot. Bonds5

About 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 119101281) has the molecular formula C16H18FN3O4S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID119101281
Molecular FormulaC16H18FN3O4S2
Molecular Weight399.47 g/mol
Exact Mass399.07
IUPAC Name4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCN1c2ccccc2N(C)S1(=O)=O
InChIInChI=1S/C16H18FN3O4S2/c1-12-11-13(17)7-8-16(12)25(21,22)18-9-10-20-15-6-4-3-5-14(15)19(2)26(20,23)24/h3-8,11,18H,9-10H2,1-2H3
InChIKeyZRININHYYRIVDL-UHFFFAOYSA-N
XLogP1.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]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-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 119101283
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide
CID 122161269
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 122161271
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide (CID 119101281) is 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCN1c2ccccc2N(C)S1(=O)=O.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZRININHYYRIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S2/c1-12-11-13(17)7-8-16(12)25(21,22)18-9-10-20-15-6-4-3-5-14(15)19(2)26(20,23)24/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 119101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).