4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide

C11H14F2N2O4S — CID 103836774

IUPAC4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C11H14F2N2O4S/c1-14-11(17)7-2-4-8(5-3-7)20(18,19)15-6-9(16)10(12)13/h2-5,9-10,15-16H,6H2,1H3,(H,14,17)
InChIKeyOXNQCZUXHVIZMO-UHFFFAOYSA-N
MW308.31 g/mol
LogP-0.05
Rot. Bonds6

About 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide

4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide (PubChem CID 103836774) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
PubChem CID103836774
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C11H14F2N2O4S/c1-14-11(17)7-2-4-8(5-3-7)20(18,19)15-6-9(16)10(12)13/h2-5,9-10,15-16H,6H2,1H3,(H,14,17)
InChIKeyOXNQCZUXHVIZMO-UHFFFAOYSA-N
XLogP-0.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[[4-(methylcarbamoyl)phenyl]sulfonylamino]butanoic acid
CID 81067194
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylbenzoate
CID 103836778
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
CID 27302594

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide (CID 103836774) is 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is OXNQCZUXHVIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-14-11(17)7-2-4-8(5-3-7)20(18,19)15-6-9(16)10(12)13/h2-5,9-10,15-16H,6H2,1H3,(H,14,17).
What are the key properties of 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide?
4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 308.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 103836774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).