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

C10H10BrN3O2S3 — CID 1221277

IUPAC4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H10BrN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyVMFKNTWBBPIGBW-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.21
Rot. Bonds5

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

4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 1221277) has the molecular formula C10H10BrN3O2S3 and a molecular weight of 380.31 g/mol. Its IUPAC name is 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID1221277
Molecular FormulaC10H10BrN3O2S3
Molecular Weight380.31 g/mol
Exact Mass378.91
IUPAC Name4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H10BrN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyVMFKNTWBBPIGBW-UHFFFAOYSA-N
XLogP3.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 1221277) is 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is VMFKNTWBBPIGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 380.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1221277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).