3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

C11H14F2N2O3S — CID 107343305

IUPAC3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC2CCOC2)c1F
InChIInChI=1S/C11H14F2N2O3S/c12-8-1-2-9(10(13)11(8)14)19(16,17)15-5-7-3-4-18-6-7/h1-2,7,15H,3-6,14H2
InChIKeyZNFKBIQZDIZXTB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.86
Rot. Bonds4

About 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 107343305) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID107343305
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC2CCOC2)c1F
InChIInChI=1S/C11H14F2N2O3S/c12-8-1-2-9(10(13)11(8)14)19(16,17)15-5-7-3-4-18-6-7/h1-2,7,15H,3-6,14H2
InChIKeyZNFKBIQZDIZXTB-UHFFFAOYSA-N
XLogP0.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
3-amino-N-(1,4-dioxan-2-ylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343258
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
4-chloro-N-[[(3R)-oxolan-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 94061203
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 107343305) is 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NCC2CCOC2)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZNFKBIQZDIZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-8-1-2-9(10(13)11(8)14)19(16,17)15-5-7-3-4-18-6-7/h1-2,7,15H,3-6,14H2.
What are the key properties of 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107343305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).