N-(thiophene-3-carbonyl)sulfamoyl fluoride

C5H4FNO3S2 — CID 101486974

IUPACN-(thiophene-3-carbonyl)sulfamoyl fluoride
SMILESO=C(NS(=O)(=O)F)c1ccsc1
InChIInChI=1S/C5H4FNO3S2/c6-12(9,10)7-5(8)4-1-2-11-3-4/h1-3H,(H,7,8)
InChIKeyCPCWSHPWRMJLSH-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.69
Rot. Bonds2

About N-(thiophene-3-carbonyl)sulfamoyl fluoride

N-(thiophene-3-carbonyl)sulfamoyl fluoride (PubChem CID 101486974) has the molecular formula C5H4FNO3S2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-(thiophene-3-carbonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(thiophene-3-carbonyl)sulfamoyl fluoride
PubChem CID101486974
Molecular FormulaC5H4FNO3S2
Molecular Weight209.22 g/mol
Exact Mass208.96
IUPAC NameN-(thiophene-3-carbonyl)sulfamoyl fluoride
SMILESO=C(NS(=O)(=O)F)c1ccsc1
InChIInChI=1S/C5H4FNO3S2/c6-12(9,10)7-5(8)4-1-2-11-3-4/h1-3H,(H,7,8)
InChIKeyCPCWSHPWRMJLSH-UHFFFAOYSA-N
XLogP0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-3-carboxamide
CID 11205757
N-hydroxythiophene-3-carboxamide
CID 24707952
N-(trifluoromethyl)thiophene-3-carboxamide
CID 90993042
Thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
N-(trifluoromethylsulfonyl)thiophene-3-carboxamide
CID 155170666
2-Iodothiophene-3-carboxamide
CID 119020665
N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81340682
5-Fluorothiophene-3-carboxamide
CID 121229194
2-Fluorothiophene-3-carboxamide
CID 121229195
2-fluoro-N-hydroxythiophene-3-carboxamide
CID 145644287
5-Iodothiophene-3-carboxamide
CID 53611236
N-diaminophosphorylthiophene-3-carboxamide
CID 18938065

Frequently Asked Questions

What is the IUPAC name of N-(thiophene-3-carbonyl)sulfamoyl fluoride?
The IUPAC name of N-(thiophene-3-carbonyl)sulfamoyl fluoride (CID 101486974) is N-(thiophene-3-carbonyl)sulfamoyl fluoride.
What is the SMILES notation for N-(thiophene-3-carbonyl)sulfamoyl fluoride?
The canonical SMILES for N-(thiophene-3-carbonyl)sulfamoyl fluoride is O=C(NS(=O)(=O)F)c1ccsc1.
What is the InChIKey of N-(thiophene-3-carbonyl)sulfamoyl fluoride?
The InChIKey is CPCWSHPWRMJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3S2/c6-12(9,10)7-5(8)4-1-2-11-3-4/h1-3H,(H,7,8).
What are the key properties of N-(thiophene-3-carbonyl)sulfamoyl fluoride?
N-(thiophene-3-carbonyl)sulfamoyl fluoride has a molecular weight of 209.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophene-3-carbonyl)sulfamoyl fluoride is sourced from PubChem (CID 101486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).