5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C11H12FN3O2S2 — CID 80645779

IUPAC5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCc2cscn2)c1F
InChIInChI=1S/C11H12FN3O2S2/c1-7-2-8(13)3-10(11(7)12)19(16,17)15-4-9-5-18-6-14-9/h2-3,5-6,15H,4,13H2,1H3
InChIKeyJRQNKERHRTWJLD-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.65
Rot. Bonds4

About 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 80645779) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID80645779
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCc2cscn2)c1F
InChIInChI=1S/C11H12FN3O2S2/c1-7-2-8(13)3-10(11(7)12)19(16,17)15-4-9-5-18-6-14-9/h2-3,5-6,15H,4,13H2,1H3
InChIKeyJRQNKERHRTWJLD-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.65
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

3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882446
methyl 4-amino-2-(1,3-thiazol-4-ylmethylsulfamoyl)benzoate
CID 102931258
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 102920800
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
2-amino-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824001

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 80645779) is 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCc2cscn2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is JRQNKERHRTWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-7-2-8(13)3-10(11(7)12)19(16,17)15-4-9-5-18-6-14-9/h2-3,5-6,15H,4,13H2,1H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).