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

C11H11F2N3O2S2 — CID 63830560

IUPAC5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2cscn2)c(F)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c12-8-3-9(13)11(4-10(8)14)20(17,18)16-2-1-7-5-19-6-15-7/h3-6,16H,1-2,14H2
InChIKeyISYWAAHYVAUIQZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.52
Rot. Bonds5

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

5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63830560) 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-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63830560
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2cscn2)c(F)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c12-8-3-9(13)11(4-10(8)14)20(17,18)16-2-1-7-5-19-6-15-7/h3-6,16H,1-2,14H2
InChIKeyISYWAAHYVAUIQZ-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

2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484
2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63823464
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63830560) is 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCCc2cscn2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is ISYWAAHYVAUIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c12-8-3-9(13)11(4-10(8)14)20(17,18)16-2-1-7-5-19-6-15-7/h3-6,16H,1-2,14H2.
What are the key properties of 5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-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-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63830560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).