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

C9H7BrFN3O2S2 — CID 103740858

IUPAC4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C9H7BrFN3O2S2/c1-5-12-13-9(17-5)14-18(15,16)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,13,14)
InChIKeyWAJVXIXOOBFMFM-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.55
Rot. Bonds3

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

4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 103740858) has the molecular formula C9H7BrFN3O2S2 and a molecular weight of 352.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID103740858
Molecular FormulaC9H7BrFN3O2S2
Molecular Weight352.21 g/mol
Exact Mass350.91
IUPAC Name4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C9H7BrFN3O2S2/c1-5-12-13-9(17-5)14-18(15,16)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,13,14)
InChIKeyWAJVXIXOOBFMFM-UHFFFAOYSA-N
XLogP2.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 103740858) is 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(Br)c(F)c2)s1.
What is the InChIKey of 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is WAJVXIXOOBFMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O2S2/c1-5-12-13-9(17-5)14-18(15,16)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,13,14).
What are the key properties of 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 352.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 103740858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).