[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate

C9H10BF4N3O2S2 — CID 139204733

IUPAC[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
SMILESF[B-](F)(F)F.[NH3+]c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C9H9N3O2S2.BF4/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2-1(3,4)5/h1-6H,10H2,(H,11,12);/q;-1/p+1
InChIKeyNTKFQODFBJMYHY-UHFFFAOYSA-O
MW343.14 g/mol
LogP2.12
Rot. Bonds3

About [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate

[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate (PubChem CID 139204733) has the molecular formula C9H10BF4N3O2S2 and a molecular weight of 343.14 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
PubChem CID139204733
Molecular FormulaC9H10BF4N3O2S2
Molecular Weight343.14 g/mol
Exact Mass343.02
IUPAC Name[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
SMILESF[B-](F)(F)F.[NH3+]c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C9H9N3O2S2.BF4/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2-1(3,4)5/h1-6H,10H2,(H,11,12);/q;-1/p+1
InChIKeyNTKFQODFBJMYHY-UHFFFAOYSA-O
XLogP2.12
TPSA86.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-(3-aminoprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54926490
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate?
The IUPAC name of [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate (CID 139204733) is [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate.
What is the SMILES notation for [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate?
The canonical SMILES for [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate is F[B-](F)(F)F.[NH3+]c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate?
The InChIKey is NTKFQODFBJMYHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N3O2S2.BF4/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;2-1(3,4)5/h1-6H,10H2,(H,11,12);/q;-1/p+1.
What are the key properties of [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate?
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate has a molecular weight of 343.14 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate is sourced from PubChem (CID 139204733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).