1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine

C12H13FN2O2S2 — CID 1475439

IUPAC1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
SMILESO=S(=O)(NCc1cccs1)NCc1ccccc1F
InChIInChI=1S/C12H13FN2O2S2/c13-12-6-2-1-4-10(12)8-14-19(16,17)15-9-11-5-3-7-18-11/h1-7,14-15H,8-9H2
InChIKeyVUBCZHGKIXCQKK-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.01
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine

1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine (PubChem CID 1475439) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
PubChem CID1475439
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
SMILESO=S(=O)(NCc1cccs1)NCc1ccccc1F
InChIInChI=1S/C12H13FN2O2S2/c13-12-6-2-1-4-10(12)8-14-19(16,17)15-9-11-5-3-7-18-11/h1-7,14-15H,8-9H2
InChIKeyVUBCZHGKIXCQKK-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine (CID 1475439) is 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine is O=S(=O)(NCc1cccs1)NCc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The InChIKey is VUBCZHGKIXCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c13-12-6-2-1-4-10(12)8-14-19(16,17)15-9-11-5-3-7-18-11/h1-7,14-15H,8-9H2.
What are the key properties of 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine has a molecular weight of 300.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine is sourced from PubChem (CID 1475439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).