5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide

C12H17FN2O3S — CID 82740574

IUPAC5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)C2CCOC2)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-8-5-10(13)12(6-11(8)14)19(16,17)15(2)9-3-4-18-7-9/h5-6,9H,3-4,7,14H2,1-2H3
InChIKeyNQOAVLGHSSXCTH-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.13
Rot. Bonds3

About 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide

5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82740574) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82740574
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)C2CCOC2)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-8-5-10(13)12(6-11(8)14)19(16,17)15(2)9-3-4-18-7-9/h5-6,9H,3-4,7,14H2,1-2H3
InChIKeyNQOAVLGHSSXCTH-UHFFFAOYSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
3-amino-N,4,5-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740817
2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113278224
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
5-amino-4-bromo-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 116529919
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
3-fluoro-N-methyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 82854734
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82740574) is 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)N(C)C2CCOC2)cc1N.
What is the InChIKey of 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is NQOAVLGHSSXCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-5-10(13)12(6-11(8)14)19(16,17)15(2)9-3-4-18-7-9/h5-6,9H,3-4,7,14H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide?
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82740574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).