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

C10H9ClFN3O2S2 — CID 43257979

IUPAC5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2S2/c1-5-4-18-10(14-5)15-19(16,17)8-3-6(13)2-7(11)9(8)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyVKQUKWBFDPECOI-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.63
Rot. Bonds3

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

5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43257979) has the molecular formula C10H9ClFN3O2S2 and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43257979
Molecular FormulaC10H9ClFN3O2S2
Molecular Weight321.79 g/mol
Exact Mass320.98
IUPAC Name5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2S2/c1-5-4-18-10(14-5)15-19(16,17)8-3-6(13)2-7(11)9(8)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyVKQUKWBFDPECOI-UHFFFAOYSA-N
XLogP2.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 43257979) is 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)n1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VKQUKWBFDPECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S2/c1-5-4-18-10(14-5)15-19(16,17)8-3-6(13)2-7(11)9(8)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43257979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).