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

C10H10BrFN4O2S2 — CID 107641398

IUPAC2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1
InChIInChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-3-5(11)6(12)4-7(8)13/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyKTUXRQAMSYRBLH-UHFFFAOYSA-N
MW381.25 g/mol
LogP2.39
Rot. Bonds4

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

2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 107641398) has the molecular formula C10H10BrFN4O2S2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID107641398
Molecular FormulaC10H10BrFN4O2S2
Molecular Weight381.25 g/mol
Exact Mass379.94
IUPAC Name2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1
InChIInChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-3-5(11)6(12)4-7(8)13/h3-4H,2,13H2,1H3,(H,15,16)
InChIKeyKTUXRQAMSYRBLH-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 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (CID 107641398) is 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2N)s1.
What is the InChIKey of 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KTUXRQAMSYRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S2/c1-2-9-14-15-10(19-9)16-20(17,18)8-3-5(11)6(12)4-7(8)13/h3-4H,2,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
2-amino-5-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 2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107641398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).