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

C11H11F2N3O2S2 — CID 63238752

IUPAC5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2nccs2)c(F)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c12-7-5-8(13)10(6-9(7)14)20(17,18)16-2-1-11-15-3-4-19-11/h3-6,16H,1-2,14H2
InChIKeySDLKOGCCHGHLEQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.52
Rot. Bonds5

About 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 63238752) has the molecular formula C11H11F2N3O2S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID63238752
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2nccs2)c(F)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c12-7-5-8(13)10(6-9(7)14)20(17,18)16-2-1-11-15-3-4-19-11/h3-6,16H,1-2,14H2
InChIKeySDLKOGCCHGHLEQ-UHFFFAOYSA-N
XLogP1.52
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460259
3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62196825
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 63238752) is 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCCc2nccs2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SDLKOGCCHGHLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c12-7-5-8(13)10(6-9(7)14)20(17,18)16-2-1-11-15-3-4-19-11/h3-6,16H,1-2,14H2.
What are the key properties of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 319.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63238752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).