2,2-difluoro-N-(3-sulfamoylpropyl)acetamide

C5H10F2N2O3S — CID 103514706

IUPAC2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)C(F)F
InChIInChI=1S/C5H10F2N2O3S/c6-4(7)5(10)9-2-1-3-13(8,11)12/h4H,1-3H2,(H,9,10)(H2,8,11,12)
InChIKeyHABOAXLKECYQAX-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.95
Rot. Bonds5

About 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide

2,2-difluoro-N-(3-sulfamoylpropyl)acetamide (PubChem CID 103514706) has the molecular formula C5H10F2N2O3S and a molecular weight of 216.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
PubChem CID103514706
Molecular FormulaC5H10F2N2O3S
Molecular Weight216.21 g/mol
Exact Mass216.04
IUPAC Name2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)C(F)F
InChIInChI=1S/C5H10F2N2O3S/c6-4(7)5(10)9-2-1-3-13(8,11)12/h4H,1-3H2,(H,9,10)(H2,8,11,12)
InChIKeyHABOAXLKECYQAX-UHFFFAOYSA-N
XLogP-0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
4-[(2,2-difluoroacetyl)amino]butanamide
CID 103515414
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide (CID 103514706) is 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide is NS(=O)(=O)CCCNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is HABOAXLKECYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O3S/c6-4(7)5(10)9-2-1-3-13(8,11)12/h4H,1-3H2,(H,9,10)(H2,8,11,12).
What are the key properties of 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide?
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 216.21 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 103514706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).