2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C12H15BrN4O2S2 — CID 106259755

IUPAC2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2N)s1
InChIInChI=1S/C12H15BrN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(13)3-4-9(10)14/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyMDSRPBTXGVOOJD-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 106259755) has the molecular formula C12H15BrN4O2S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID106259755
Molecular FormulaC12H15BrN4O2S2
Molecular Weight391.32 g/mol
Exact Mass389.98
IUPAC Name2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2N)s1
InChIInChI=1S/C12H15BrN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(13)3-4-9(10)14/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyMDSRPBTXGVOOJD-UHFFFAOYSA-N
XLogP2.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.88
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

Glyprothiazol
CID 66458
2-amino-5-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259720
2-amino-3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259724
2-amino-4-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259733
2-amino-6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259748
2-amino-5-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106492112
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide
CID 107641392
5-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzenesulfonamide
CID 107641394
2-amino-5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 107641398
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 107641410
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzenesulfonamide
CID 107641438
5-amino-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 107641443

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 106259755) is 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2N)s1.
What is the InChIKey of 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is MDSRPBTXGVOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(13)3-4-9(10)14/h3-4,6-7H,5,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 391.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 106259755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).