N-[(4-fluorophenyl)methyl]sulfamoyl chloride

C7H7ClFNO2S — CID 22279349

IUPACN-[(4-fluorophenyl)methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)NCc1ccc(F)cc1
InChIInChI=1S/C7H7ClFNO2S/c8-13(11,12)10-5-6-1-3-7(9)4-2-6/h1-4,10H,5H2
InChIKeyIOLLFQPPMHKVFH-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.40
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]sulfamoyl chloride

N-[(4-fluorophenyl)methyl]sulfamoyl chloride (PubChem CID 22279349) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]sulfamoyl chloride
PubChem CID22279349
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC NameN-[(4-fluorophenyl)methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)NCc1ccc(F)cc1
InChIInChI=1S/C7H7ClFNO2S/c8-13(11,12)10-5-6-1-3-7(9)4-2-6/h1-4,10H,5H2
InChIKeyIOLLFQPPMHKVFH-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]sulfamoyl chloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]sulfamoyl chloride (CID 22279349) is N-[(4-fluorophenyl)methyl]sulfamoyl chloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]sulfamoyl chloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]sulfamoyl chloride is O=S(=O)(Cl)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]sulfamoyl chloride?
The InChIKey is IOLLFQPPMHKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c8-13(11,12)10-5-6-1-3-7(9)4-2-6/h1-4,10H,5H2.
What are the key properties of N-[(4-fluorophenyl)methyl]sulfamoyl chloride?
N-[(4-fluorophenyl)methyl]sulfamoyl chloride has a molecular weight of 223.66 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]sulfamoyl chloride is sourced from PubChem (CID 22279349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).