5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide

C11H14F2N2O4S — CID 103836901

IUPAC5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C(N)=O
InChIInChI=1S/C11H14F2N2O4S/c1-6-2-3-7(4-8(6)11(14)17)20(18,19)15-5-9(16)10(12)13/h2-4,9-10,15-16H,5H2,1H3,(H2,14,17)
InChIKeyNIUJUAQCIFCFLJ-UHFFFAOYSA-N
MW308.31 g/mol
LogP-0.00
Rot. Bonds6

About 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide

5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide (PubChem CID 103836901) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
PubChem CID103836901
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C(N)=O
InChIInChI=1S/C11H14F2N2O4S/c1-6-2-3-7(4-8(6)11(14)17)20(18,19)15-5-9(16)10(12)13/h2-4,9-10,15-16H,5H2,1H3,(H2,14,17)
InChIKeyNIUJUAQCIFCFLJ-UHFFFAOYSA-N
XLogP-0.00
TPSA109.49 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 ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
CID 103836774
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide (CID 103836901) is 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C(N)=O.
What is the InChIKey of 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is NIUJUAQCIFCFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-6-2-3-7(4-8(6)11(14)17)20(18,19)15-5-9(16)10(12)13/h2-4,9-10,15-16H,5H2,1H3,(H2,14,17).
What are the key properties of 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 308.31 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 103836901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).