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

C17H13F3N2O3S2 — CID 134585261

IUPAC2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCC(Oc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H13F3N2O3S2/c1-10(12-4-2-3-5-13(12)18)25-11-6-14(19)17(15(20)7-11)27(23,24)22-16-8-26-9-21-16/h2-10,22H,1H3
InChIKeyNIAPTCOQYSQBPH-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.50
Rot. Bonds6

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

2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 134585261) has the molecular formula C17H13F3N2O3S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID134585261
Molecular FormulaC17H13F3N2O3S2
Molecular Weight414.43 g/mol
Exact Mass414.03
IUPAC Name2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCC(Oc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H13F3N2O3S2/c1-10(12-4-2-3-5-13(12)18)25-11-6-14(19)17(15(20)7-11)27(23,24)22-16-8-26-9-21-16/h2-10,22H,1H3
InChIKeyNIAPTCOQYSQBPH-UHFFFAOYSA-N
XLogP4.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 134586293
2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 118121063
4-[[2-(azetidin-1-ylmethyl)phenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585181
2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 174945014
5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
CID 146430499
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
4-[[2-[(dimethylamino)methyl]-6-fluoro-3-methoxyphenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 155061433
4-[[2-(azetidin-1-ylmethyl)-3-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585958
2,6-difluoro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585256
2,6-difluoro-4-[[2-fluoro-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585192
2,6-difluoro-4-[[2-fluoro-6-[(3-fluoroazetidin-1-yl)methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585332
4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 141418403

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 134585261) is 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is CC(Oc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1)c1ccccc1F.
What is the InChIKey of 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is NIAPTCOQYSQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S2/c1-10(12-4-2-3-5-13(12)18)25-11-6-14(19)17(15(20)7-11)27(23,24)22-16-8-26-9-21-16/h2-10,22H,1H3.
What are the key properties of 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 414.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 134585261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).