5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide

C10H10BrFN4O2S2 — CID 107641443

IUPAC5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(N)c(F)cc2Br)s1
InChIInChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-4-7(13)6(12)3-5(8)11/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyKXUARDPXENRQSE-UHFFFAOYSA-N
MW381.25 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide

5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 107641443) has the molecular formula C10H10BrFN4O2S2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID107641443
Molecular FormulaC10H10BrFN4O2S2
Molecular Weight381.25 g/mol
Exact Mass379.94
IUPAC Name5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(N)c(F)cc2Br)s1
InChIInChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-4-7(13)6(12)3-5(8)11/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyKXUARDPXENRQSE-UHFFFAOYSA-N
XLogP2.39
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 52.39
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 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (CID 107641443) is 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(N)c(F)cc2Br)s1.
What is the InChIKey of 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KXUARDPXENRQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-4-7(13)6(12)3-5(8)11/h3-4H,2,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 381.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107641443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).