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Kaoxidin

C13H13N3O5S2 — CID 5315

💊View drug profile → succinylsulfathiazole

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeySKVLYVHULOWXTD-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.75
Rot. Bonds7

About Kaoxidin

Kaoxidin (PubChem CID 5315) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid.

Molecular Properties

Compound NameKaoxidin
PubChem CID5315
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC Name4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeySKVLYVHULOWXTD-UHFFFAOYSA-N
XLogP1.75
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
3-[4-(Thiazol-2-ylsulfamoyl)-phenylcarbamoyl]-acrylic acid
CID 5368724
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-Methyl-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-butyramide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
Maleylsulfathiazole
CID 5357229
3-Methyl-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-butyramide
CID 784406
3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 1080629
2,2,2-trifluoro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 998002

Frequently Asked Questions

What is the IUPAC name of Kaoxidin?
The IUPAC name of Kaoxidin (CID 5315) is 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid.
What is the SMILES notation for Kaoxidin?
The canonical SMILES for Kaoxidin is O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of Kaoxidin?
The InChIKey is SKVLYVHULOWXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of Kaoxidin?
Kaoxidin has a molecular weight of 355.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Kaoxidin is sourced from PubChem (CID 5315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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