3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride

C7H11FN2O4S3 — CID 99792847

IUPAC3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
SMILESCN(c1nccs1)S(=O)(=O)CCCS(=O)(=O)F
InChIInChI=1S/C7H11FN2O4S3/c1-10(7-9-3-4-15-7)17(13,14)6-2-5-16(8,11)12/h3-4H,2,5-6H2,1H3
InChIKeyKMBCVSBGNNHVGC-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.60
Rot. Bonds6

About 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride

3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride (PubChem CID 99792847) has the molecular formula C7H11FN2O4S3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
PubChem CID99792847
Molecular FormulaC7H11FN2O4S3
Molecular Weight302.37 g/mol
Exact Mass301.99
IUPAC Name3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
SMILESCN(c1nccs1)S(=O)(=O)CCCS(=O)(=O)F
InChIInChI=1S/C7H11FN2O4S3/c1-10(7-9-3-4-15-7)17(13,14)6-2-5-16(8,11)12/h3-4H,2,5-6H2,1H3
InChIKeyKMBCVSBGNNHVGC-UHFFFAOYSA-N
XLogP0.60
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride?
The IUPAC name of 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride (CID 99792847) is 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride?
The canonical SMILES for 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride is CN(c1nccs1)S(=O)(=O)CCCS(=O)(=O)F.
What is the InChIKey of 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride?
The InChIKey is KMBCVSBGNNHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O4S3/c1-10(7-9-3-4-15-7)17(13,14)6-2-5-16(8,11)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride?
3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride has a molecular weight of 302.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride is sourced from PubChem (CID 99792847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).