fluoromethane;methyl(2-phenylethyl)sulfamic acid

C10H16FNO3S — CID 154691947

IUPACfluoromethane;methyl(2-phenylethyl)sulfamic acid
SMILESCF.CN(CCc1ccccc1)S(=O)(=O)O
InChIInChI=1S/C9H13NO3S.CH3F/c1-10(14(11,12)13)8-7-9-5-3-2-4-6-9;1-2/h2-6H,7-8H2,1H3,(H,11,12,13);1H3
InChIKeyXGGSKEZWQMJLRA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds4

About fluoromethane;methyl(2-phenylethyl)sulfamic acid

fluoromethane;methyl(2-phenylethyl)sulfamic acid (PubChem CID 154691947) has the molecular formula C10H16FNO3S and a molecular weight of 249.31 g/mol. Its IUPAC name is fluoromethane;methyl(2-phenylethyl)sulfamic acid.

Molecular Properties

Compound Namefluoromethane;methyl(2-phenylethyl)sulfamic acid
PubChem CID154691947
Molecular FormulaC10H16FNO3S
Molecular Weight249.31 g/mol
Exact Mass249.08
IUPAC Namefluoromethane;methyl(2-phenylethyl)sulfamic acid
SMILESCF.CN(CCc1ccccc1)S(=O)(=O)O
InChIInChI=1S/C9H13NO3S.CH3F/c1-10(14(11,12)13)8-7-9-5-3-2-4-6-9;1-2/h2-6H,7-8H2,1H3,(H,11,12,13);1H3
InChIKeyXGGSKEZWQMJLRA-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
CID 60951883
3-[methyl(2-phenylethyl)amino]propane-1-sulfonic acid
CID 87177450
N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
benzyl(sulfo)sulfamic acid
CID 54427947
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936

Frequently Asked Questions

What is the IUPAC name of fluoromethane;methyl(2-phenylethyl)sulfamic acid?
The IUPAC name of fluoromethane;methyl(2-phenylethyl)sulfamic acid (CID 154691947) is fluoromethane;methyl(2-phenylethyl)sulfamic acid.
What is the SMILES notation for fluoromethane;methyl(2-phenylethyl)sulfamic acid?
The canonical SMILES for fluoromethane;methyl(2-phenylethyl)sulfamic acid is CF.CN(CCc1ccccc1)S(=O)(=O)O.
What is the InChIKey of fluoromethane;methyl(2-phenylethyl)sulfamic acid?
The InChIKey is XGGSKEZWQMJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S.CH3F/c1-10(14(11,12)13)8-7-9-5-3-2-4-6-9;1-2/h2-6H,7-8H2,1H3,(H,11,12,13);1H3.
What are the key properties of fluoromethane;methyl(2-phenylethyl)sulfamic acid?
fluoromethane;methyl(2-phenylethyl)sulfamic acid has a molecular weight of 249.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;methyl(2-phenylethyl)sulfamic acid is sourced from PubChem (CID 154691947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).