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

C10H12F2N2O3S — CID 107343713

IUPAC3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NC2CCOC2)c1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(15,16)14-6-3-4-17-5-6/h1-2,6,14H,3-5,13H2
InChIKeyIIKLJCRLXZJTGO-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.61
Rot. Bonds3

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

3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 107343713) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID107343713
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NC2CCOC2)c1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(15,16)14-6-3-4-17-5-6/h1-2,6,14H,3-5,13H2
InChIKeyIIKLJCRLXZJTGO-UHFFFAOYSA-N
XLogP0.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.61
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

3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 107343661
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid
CID 63363895
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80717243
3-amino-N-(1,4-dioxan-2-ylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343258
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 106072319

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide (CID 107343713) is 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NC2CCOC2)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is IIKLJCRLXZJTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-7-1-2-8(9(12)10(7)13)18(15,16)14-6-3-4-17-5-6/h1-2,6,14H,3-5,13H2.
What are the key properties of 3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 278.28 g/mol, XLogP of 0.61, 3 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-yl)benzenesulfonamide is sourced from PubChem (CID 107343713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).