2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H14F3N3O2S2 — CID 134585252

IUPAC2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-8-14(19)16(15(20)9-11)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23)/t10-/m0/s1
InChIKeyYNWHWKIVLFOBNC-JTQLQIEISA-N
MW413.45 g/mol
LogP4.53
Rot. Bonds6

About 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134585252) has the molecular formula C17H14F3N3O2S2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134585252
Molecular FormulaC17H14F3N3O2S2
Molecular Weight413.45 g/mol
Exact Mass413.05
IUPAC Name2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-8-14(19)16(15(20)9-11)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23)/t10-/m0/s1
InChIKeyYNWHWKIVLFOBNC-JTQLQIEISA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)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 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134585252) is 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)c(F)c1)c1ccccc1F.
What is the InChIKey of 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YNWHWKIVLFOBNC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-8-14(19)16(15(20)9-11)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23)/t10-/m0/s1.
What are the key properties of 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134585252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).