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

C11H14F2N2O4S — CID 104858816

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

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

5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide (PubChem CID 104858816) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
PubChem CID104858816
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)CO)cc1C(N)=O
InChIInChI=1S/C11H14F2N2O4S/c1-7-2-3-8(4-9(7)10(14)17)20(18,19)15-5-11(12,13)6-16/h2-4,15-16H,5-6H2,1H3,(H2,14,17)
InChIKeyKOLFTUVIHOJQAD-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

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 106165818
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide (CID 104858816) is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCC(F)(F)CO)cc1C(N)=O.
What is the InChIKey of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is KOLFTUVIHOJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-7-2-3-8(4-9(7)10(14)17)20(18,19)15-5-11(12,13)6-16/h2-4,15-16H,5-6H2,1H3,(H2,14,17).
What are the key properties of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide?
5-[(2,2-difluoro-3-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-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 104858816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).