3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide

C11H15F2N3O4S — CID 107478040

IUPAC3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)c(N)c1
InChIInChI=1S/C11H15F2N3O4S/c12-10(13)6-16(3-4-17)21(19,20)9-2-1-7(11(15)18)5-8(9)14/h1-2,5,10,17H,3-4,6,14H2,(H2,15,18)
InChIKeyFPIILUOEMIYIBX-UHFFFAOYSA-N
MW323.32 g/mol
LogP-0.38
Rot. Bonds7

About 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide

3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide (PubChem CID 107478040) has the molecular formula C11H15F2N3O4S and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
PubChem CID107478040
Molecular FormulaC11H15F2N3O4S
Molecular Weight323.32 g/mol
Exact Mass323.08
IUPAC Name3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)c(N)c1
InChIInChI=1S/C11H15F2N3O4S/c12-10(13)6-16(3-4-17)21(19,20)9-2-1-7(11(15)18)5-8(9)14/h1-2,5,10,17H,3-4,6,14H2,(H2,15,18)
InChIKeyFPIILUOEMIYIBX-UHFFFAOYSA-N
XLogP-0.38
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
methyl 2-[(2-amino-4-carbamoylphenyl)sulfonyl-ethylamino]acetate
CID 81466179
3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
CID 81471424

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide (CID 107478040) is 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)c(N)c1.
What is the InChIKey of 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide?
The InChIKey is FPIILUOEMIYIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O4S/c12-10(13)6-16(3-4-17)21(19,20)9-2-1-7(11(15)18)5-8(9)14/h1-2,5,10,17H,3-4,6,14H2,(H2,15,18).
What are the key properties of 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide?
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide has a molecular weight of 323.32 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide is sourced from PubChem (CID 107478040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).