N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride

C9H10FNO4S — CID 154879529

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
SMILESCN(Cc1cccc2c1OCO2)S(=O)(=O)F
InChIInChI=1S/C9H10FNO4S/c1-11(16(10,12)13)5-7-3-2-4-8-9(7)15-6-14-8/h2-4H,5-6H2,1H3
InChIKeyXHMKKDMGLGFPPI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.06
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride

N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride (PubChem CID 154879529) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
PubChem CID154879529
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
SMILESCN(Cc1cccc2c1OCO2)S(=O)(=O)F
InChIInChI=1S/C9H10FNO4S/c1-11(16(10,12)13)5-7-3-2-4-8-9(7)15-6-14-8/h2-4H,5-6H2,1H3
InChIKeyXHMKKDMGLGFPPI-UHFFFAOYSA-N
XLogP1.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
CID 47372906
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
2-(1,3-benzodioxol-4-yl)acetaldehyde
CID 23424128
N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
CID 61216385
1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
CID 101045626
5-(1,3-benzodioxol-4-ylmethyl)-6-ethyl-1,3-benzodioxole
CID 171509585
1,3-benzodioxole-4-sulfonyl chloride
CID 22500110
4-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole
CID 126542882
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride (CID 154879529) is N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride is CN(Cc1cccc2c1OCO2)S(=O)(=O)F.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride?
The InChIKey is XHMKKDMGLGFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c1-11(16(10,12)13)5-7-3-2-4-8-9(7)15-6-14-8/h2-4H,5-6H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride?
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride has a molecular weight of 247.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride is sourced from PubChem (CID 154879529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).