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

C10H10FN3O2S2 — CID 28548844

IUPAC2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C10H10FN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(11)4-8(9)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyQCHZBUVMOUPQNE-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.97
Rot. Bonds3

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

2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 28548844) has the molecular formula C10H10FN3O2S2 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID28548844
Molecular FormulaC10H10FN3O2S2
Molecular Weight287.34 g/mol
Exact Mass287.02
IUPAC Name2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C10H10FN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(11)4-8(9)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyQCHZBUVMOUPQNE-UHFFFAOYSA-N
XLogP1.97
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.97
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-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 28514319
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
6-amino-5-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 64608128

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 28548844) is 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(F)cc2N)s1.
What is the InChIKey of 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QCHZBUVMOUPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(11)4-8(9)12/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28548844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).