4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C17H17FN4O2S2 — CID 46944160

IUPAC4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17FN4O2S2/c18-12-3-1-11(2-4-12)9-15(19)16-10-25-17(22-16)21-13-5-7-14(8-6-13)26(20,23)24/h1-8,10,15H,9,19H2,(H,21,22)(H2,20,23,24)
InChIKeyZCRSHAHUGRQYJU-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.92
Rot. Bonds6

About 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 46944160) has the molecular formula C17H17FN4O2S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID46944160
Molecular FormulaC17H17FN4O2S2
Molecular Weight392.48 g/mol
Exact Mass392.08
IUPAC Name4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17FN4O2S2/c18-12-3-1-11(2-4-12)9-15(19)16-10-25-17(22-16)21-13-5-7-14(8-6-13)26(20,23)24/h1-8,10,15H,9,19H2,(H,21,22)(H2,20,23,24)
InChIKeyZCRSHAHUGRQYJU-UHFFFAOYSA-N
XLogP2.92
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide 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 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 46944160) is 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is NC(Cc1ccc(F)cc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is ZCRSHAHUGRQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S2/c18-12-3-1-11(2-4-12)9-15(19)16-10-25-17(22-16)21-13-5-7-14(8-6-13)26(20,23)24/h1-8,10,15H,9,19H2,(H,21,22)(H2,20,23,24).
What are the key properties of 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 46944160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).