5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide

C8H6BrClN4O2S2 — CID 114274512

IUPAC5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(Br)c(Cl)c(S(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C8H6BrClN4O2S2/c9-5-1-4(11)2-6(8(5)10)18(15,16)13-7-3-12-14-17-7/h1-3,13H,11H2
InChIKeyLZXQRFAUFDZONF-UHFFFAOYSA-N
MW369.65 g/mol
LogP2.34
Rot. Bonds3

About 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide

5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114274512) has the molecular formula C8H6BrClN4O2S2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114274512
Molecular FormulaC8H6BrClN4O2S2
Molecular Weight369.65 g/mol
Exact Mass367.88
IUPAC Name5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(Br)c(Cl)c(S(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C8H6BrClN4O2S2/c9-5-1-4(11)2-6(8(5)10)18(15,16)13-7-3-12-14-17-7/h1-3,13H,11H2
InChIKeyLZXQRFAUFDZONF-UHFFFAOYSA-N
XLogP2.34
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911701
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673
6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337288
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
2-[(5-amino-3-bromo-2-chlorophenyl)sulfonylamino]-N-methylacetamide
CID 114274501
2-amino-4-methyl-N-(thiadiazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 114912937
5-(thiadiazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 114911893
2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912879
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
N-(thiadiazol-5-yl)ethanesulfonamide
CID 107649055

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114274512) is 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide is Nc1cc(Br)c(Cl)c(S(=O)(=O)Nc2cnns2)c1.
What is the InChIKey of 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is LZXQRFAUFDZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4O2S2/c9-5-1-4(11)2-6(8(5)10)18(15,16)13-7-3-12-14-17-7/h1-3,13H,11H2.
What are the key properties of 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 369.65 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).