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

C8H6BrIN4O2S2 — CID 114260653

IUPAC5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2ccc(I)cc2Br)s1
InChIInChI=1S/C8H6BrIN4O2S2/c9-5-3-4(10)1-2-6(5)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeySNIRVPVOYJQQEE-UHFFFAOYSA-N
MW461.10 g/mol
LogP2.29
Rot. Bonds3

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

5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 114260653) has the molecular formula C8H6BrIN4O2S2 and a molecular weight of 461.10 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID114260653
Molecular FormulaC8H6BrIN4O2S2
Molecular Weight461.10 g/mol
Exact Mass459.82
IUPAC Name5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2ccc(I)cc2Br)s1
InChIInChI=1S/C8H6BrIN4O2S2/c9-5-3-4(10)1-2-6(5)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeySNIRVPVOYJQQEE-UHFFFAOYSA-N
XLogP2.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.10
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383135
5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383113
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383255
N-(2-bromo-4-iodophenyl)-1-cyanomethanesulfonamide
CID 130498678
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
CID 3804697

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide (CID 114260653) is 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)Nc2ccc(I)cc2Br)s1.
What is the InChIKey of 5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is SNIRVPVOYJQQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN4O2S2/c9-5-3-4(10)1-2-6(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-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 461.10 g/mol, XLogP of 2.29, 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-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 114260653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).