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

C10H9FN2O2S2 — CID 3395000

IUPAC4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYGTSMWXLBOMZFP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.39
Rot. Bonds3

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

4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 3395000) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID3395000
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYGTSMWXLBOMZFP-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 3395000) is 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YGTSMWXLBOMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3395000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).