5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide

C8H6BrFN4O2S2 — CID 107626852

IUPAC5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C8H6BrFN4O2S2/c9-5-2-1-4(10)3-6(5)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeyMDSUSSCBLQAKCH-UHFFFAOYSA-N
MW353.20 g/mol
LogP1.82
Rot. Bonds3

About 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 107626852) has the molecular formula C8H6BrFN4O2S2 and a molecular weight of 353.20 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID107626852
Molecular FormulaC8H6BrFN4O2S2
Molecular Weight353.20 g/mol
Exact Mass351.91
IUPAC Name5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C8H6BrFN4O2S2/c9-5-2-1-4(10)3-6(5)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeyMDSUSSCBLQAKCH-UHFFFAOYSA-N
XLogP1.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Amino-3-bromobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11015176
5-{[(4-Amino-3-bromo-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
CID 11026415
5-amino-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 93744067
5-amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 93744068
5-amino-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 93744069
5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 102854120
5-amino-N-(2,3,4-trifluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171194
5-amino-N-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171195
5-amino-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171235
5-amino-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171247
5-amino-N-(3,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171251
5-amino-N-(2,6-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171278

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (CID 107626852) is 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)Nc2cc(F)ccc2Br)s1.
What is the InChIKey of 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is MDSUSSCBLQAKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN4O2S2/c9-5-2-1-4(10)3-6(5)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12).
What are the key properties of 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 353.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 107626852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).