4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid

C7H9BrN2O4S2 — CID 60785429

IUPAC4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O4S2/c8-5-4-9-7(15-5)10-16(13,14)3-1-2-6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyDSYJLEJQEHJPAB-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.51
Rot. Bonds6

About 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid

4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid (PubChem CID 60785429) has the molecular formula C7H9BrN2O4S2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid
PubChem CID60785429
Molecular FormulaC7H9BrN2O4S2
Molecular Weight329.20 g/mol
Exact Mass327.92
IUPAC Name4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O4S2/c8-5-4-9-7(15-5)10-16(13,14)3-1-2-6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyDSYJLEJQEHJPAB-UHFFFAOYSA-N
XLogP1.51
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid (CID 60785429) is 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid?
The InChIKey is DSYJLEJQEHJPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O4S2/c8-5-4-9-7(15-5)10-16(13,14)3-1-2-6(11)12/h4H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid?
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid has a molecular weight of 329.20 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60785429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).