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

C9H8BrFN4O2S2 — CID 106492112

IUPAC2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1
InChIInChI=1S/C9H8BrFN4O2S2/c1-4-13-14-9(18-4)15-19(16,17)8-2-5(10)6(11)3-7(8)12/h2-3H,12H2,1H3,(H,14,15)
InChIKeyNKNSZEYLJSNGSF-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.13
Rot. Bonds3

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

2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106492112) has the molecular formula C9H8BrFN4O2S2 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106492112
Molecular FormulaC9H8BrFN4O2S2
Molecular Weight367.23 g/mol
Exact Mass365.93
IUPAC Name2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1
InChIInChI=1S/C9H8BrFN4O2S2/c1-4-13-14-9(18-4)15-19(16,17)8-2-5(10)6(11)3-7(8)12/h2-3H,12H2,1H3,(H,14,15)
InChIKeyNKNSZEYLJSNGSF-UHFFFAOYSA-N
XLogP2.13
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106492112) is 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NKNSZEYLJSNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4O2S2/c1-4-13-14-9(18-4)15-19(16,17)8-2-5(10)6(11)3-7(8)12/h2-3H,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 367.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106492112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).